3-[[1-[(2-chlorophenyl)methyl]-2-oxidanyl-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]carbamoylamino]-3-(3-phenylphenyl)propanoic acid

Systemtic Name: 3-[[1-[(2-chlorophenyl)methyl]-2-oxidanyl-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]carbamoylamino]-3-(3-phenylphenyl)propanoic acid Openeye Name: 3-[[1-[(2-chlorophenyl)methyl]-2-hydroxy-4-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]carbamoylamino]-3-(3-phenylphenyl)propanoic acid CAS Name: 3-[[[[1-[(2-chlorophenyl)methyl]-2-hydroxy-4-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]amino]-oxomethyl]amino]-3-(3-phenylphenyl)propanoic acid IUPAC Name: 3-[[1-[(2-chlorophenyl)methyl]-2-hydroxy-4-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]carbamoylamino]-3-(3-phenylphenyl)propanoic acid Traditional Name: 3-[[1-(2-chlorobenzyl)-2-hydroxy-4-keto-6,7-dihydro-5H-1-pyrindin-3-yl]carbamoylamino]-3-(3-phenylphenyl)propionic acid Formula: C31H28ClN3O5 MolecularWeight: 558.02412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N(C(=C(C2=O)NC(=O)NC(CC(=O)O)C3=CC=CC(=C3)C4=CC=CC=C4)O)CC5=CC=CC=C5Cl

Isomeric SMILES

C1CC2=C(C1)N(C(=C(C2=O)NC(=O)NC(CC(=O)O)C3=CC=CC(=C3)C4=CC=CC=C4)O)CC5=CC=CC=C5Cl

InChI

InChI=1S/C31H28ClN3O5/c32-24-14-5-4-10-22(24)18-35-26-15-7-13-23(26)29(38)28(30(35)39)34-31(40)33-25(17-27(36)37)21-12-6-11-20(16-21)19-8-2-1-3-9-19/h1-6,8-12,14,16,25,39H,7,13,15,17-18H2,(H,36,37)(H2,33,34,40)