4-[(2-oxidanyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxidanylidene-3-[(4-phenylmethoxyphenyl)methyl]butanoic acid

Systemtic Name: 4-[(2-oxidanyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxidanylidene-3-[(4-phenylmethoxyphenyl)methyl]butanoic acid Openeye Name: 3-[(4-benzyloxyphenyl)methyl]-4-[(2-hydroxyindan-1-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxo-3-[(4-phenylmethoxyphenyl)methyl]butanoic acid IUPAC Name: 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxo-3-[(4-phenylmethoxyphenyl)methyl]butanoic acid Traditional Name: 3-(4-benzoxybenzyl)-4-[(2-hydroxyindan-1-yl)amino]-4-keto-butyric acid Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)CC(=O)O)O

Isomeric SMILES

C1C(C(C2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)CC(=O)O)O

InChI

InChI=1S/C27H27NO5/c29-24-15-20-8-4-5-9-23(20)26(24)28-27(32)21(16-25(30)31)14-18-10-12-22(13-11-18)33-17-19-6-2-1-3-7-19/h1-13,21,24,26,29H,14-17H2,(H,28,32)(H,30,31)