4-(1,3-dihydroisoindol-2-yl)-4-oxidanylidene-2-[phenyl(phenylmethoxycarbonyl)amino]butanoic acid

Systemtic Name: 4-(1,3-dihydroisoindol-2-yl)-4-oxidanylidene-2-[phenyl(phenylmethoxycarbonyl)amino]butanoic acid Openeye Name: 2-(N-benzyloxycarbonylanilino)-4-isoindolin-2-yl-4-oxo-butanoic acid CAS Name: 4-(1,3-dihydroisoindol-2-yl)-4-oxo-2-(N-phenylmethoxycarbonylanilino)butanoic acid IUPAC Name: 4-(1,3-dihydroisoindol-2-yl)-4-oxo-2-(N-phenylmethoxycarbonylanilino)butanoic acid Traditional Name: 2-(N-carbobenzoxyanilino)-4-isoindolin-2-yl-4-keto-butyric acid Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN1C(=O)CC(C(=O)O)N(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2CN1C(=O)CC(C(=O)O)N(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O5/c29-24(27-16-20-11-7-8-12-21(20)17-27)15-23(25(30)31)28(22-13-5-2-6-14-22)26(32)33-18-19-9-3-1-4-10-19/h1-14,23H,15-18H2,(H,30,31)