4-(((9H-Fluoren-9-yl)methyl9H-fluoren-9-yl)methoxy)carbonyl)-1-benzoylpiperazine-2-carboxylic Acid - CAS 1214665-64-1

Name: 4-(((9H-Fluoren-9-yl)methyl9H-fluoren-9-yl)methoxy)carbonyl)-1-benzoylpiperazine-2-carboxylic Acid
Brand: BOC Sciences
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Catalog:	BB064639
Product Name:	4-(((9H-Fluoren-9-yl)methyl9H-fluoren-9-yl)methoxy)carbonyl)-1-benzoylpiperazine-2-carboxylic Acid
CAS:	1214665-64-1
Synonyms:	4-(((9H-FLUOREN-9-YL)METHYL9H-FLUOREN-9-YL)METHOXY)CARBONYL)-1-BENZOYLPIPERAZINE-2-CARBOXYLIC ACID; 4-(((9H-Fluoren-9-yl)methoxy)carbonyl)-1-benzoylpiperazine-2-carboxylic acid; 1-benzoyl-4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid; 4-(((9H-Fluoren-9-yl)methoxy)carbonyl)-1-benzoylpiperazine-2-carboxylicacid

Technical Data

Computed Properties

IUPAC Name:	1-benzoyl-4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid
Molecular Weight:	456.48
Molecular Formula:	C27H24N2O5
Canonical SMILES:	C1CN(C(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)C(=O)C5=CC=CC=C5
InChI:	InChI=1S/C27H24N2O5/c30-25(18-8-2-1-3-9-18)29-15-14-28(16-24(29)26(31)32)27(33)34-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,31,32)
InChI Key:	PZRJUJTZSFMKML-UHFFFAOYSA-N

Complexity:	744
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	456.16852187
Formal Charge:	0
Heavy Atom Count:	34
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	456.16852187
Rotatable Bond Count:	5
Topological Polar Surface Area:	87.2Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8

4-(((9H-Fluoren-9-yl)methyl9H-fluoren-9-yl)methoxy)carbonyl)-1-benzoylpiperazine-2-carboxylic Acid - CAS 1214665-64-1

Technical Data

Computed Properties

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