3-[[1-[(2-chlorophenyl)methyl]-2-oxidanyl-4-oxidanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]carbamoylamino]-3-[3-(diethylamino)phenyl]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-(diethylamino)phenyl]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-(diethylamino)phenyl]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-(diethylamino)phenyl]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-(diethylamino)phenyl]propanoic acid Traditional Name: 3-[[1-(2-chlorobenzyl)-2-hydroxy-4-keto-6,7-dihydro-5H-1-pyrindin-3-yl]carbamoylamino]-3-[3-(diethylamino)phenyl]propionic acid Formula: C29H33ClN4O5 MolecularWeight: 553.04912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC(=C1)C(CC(=O)O)NC(=O)NC2=C(N(C3=C(C2=O)CCC3)CC4=CC=CC=C4Cl)O

Isomeric SMILES

CCN(CC)C1=CC=CC(=C1)C(CC(=O)O)NC(=O)NC2=C(N(C3=C(C2=O)CCC3)CC4=CC=CC=C4Cl)O

InChI

InChI=1S/C29H33ClN4O5/c1-3-33(4-2)20-11-7-10-18(15-20)23(16-25(35)36)31-29(39)32-26-27(37)21-12-8-14-24(21)34(28(26)38)17-19-9-5-6-13-22(19)30/h5-7,9-11,13,15,23,38H,3-4,8,12,14,16-17H2,1-2H3,(H,35,36)(H2,31,32,39)