2-Phthalimidyl-3-(3?-benzoxyphenyl)propionic Acid Methyl Ester - CAS 1076199-34-2

Catalog:	BB058143
Product Name:	2-Phthalimidyl-3-(3?-benzoxyphenyl)propionic Acid Methyl Ester
CAS:	1076199-34-2
Synonyms:	2-Phthalimidyl-3-(3'-benzoxyphenyl)propionic Acid Methyl Ester; methyl 2-(1,3-dioxoisoindol-2-yl)-3-(3-phenylmethoxyphenyl)propanoate; Methyl 3-[3-(benzyloxy)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate; 2-Phthalimidyl-3-(3 inverted exclamation mark -benzoxyphenyl)propionic Acid Methyl Ester

Technical Data

IUPAC Name:	methyl 2-(1,3-dioxoisoindol-2-yl)-3-(3-phenylmethoxyphenyl)propanoate
Molecular Weight:	415.44
Molecular Formula:	C25H21NO5
Canonical SMILES:	COC(=O)C(CC1=CC(=CC=C1)OCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O
InChI:	InChI=1S/C25H21NO5/c1-30-25(29)22(26-23(27)20-12-5-6-13-21(20)24(26)28)15-18-10-7-11-19(14-18)31-16-17-8-3-2-4-9-17/h2-14,22H,15-16H2,1H3
InChI Key:	LRJVTZDDZXIDRS-UHFFFAOYSA-N

Complexity:	634
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	415.14197277
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	415.14197277
Rotatable Bond Count:	8
Topological Polar Surface Area:	72.9Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3