3-[[1-[(2-chlorophenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(3,4-diethoxyphenyl)propanoic acid

Systemtic Name: 3-[[1-[(2-chlorophenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(3,4-diethoxyphenyl)propanoic acid Openeye Name: 3-[[1-[(2-chlorophenyl)methyl]-2-hydroxy-4-oxo-3-pyridyl]carbamoylamino]-3-(3,4-diethoxyphenyl)propanoic acid CAS Name: 3-[[[[1-[(2-chlorophenyl)methyl]-2-hydroxy-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(3,4-diethoxyphenyl)propanoic acid IUPAC Name: 3-[[1-[(2-chlorophenyl)methyl]-2-hydroxy-4-oxopyridin-3-yl]carbamoylamino]-3-(3,4-diethoxyphenyl)propanoic acid Traditional Name: 3-[[1-(2-chlorobenzyl)-2-hydroxy-4-keto-3-pyridyl]carbamoylamino]-3-(3,4-diethoxyphenyl)propionic acid Formula: C26H28ClN3O7 MolecularWeight: 529.96942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=CC2=O)CC3=CC=CC=C3Cl)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=CC2=O)CC3=CC=CC=C3Cl)O)OCC

InChI

InChI=1S/C26H28ClN3O7/c1-3-36-21-10-9-16(13-22(21)37-4-2)19(14-23(32)33)28-26(35)29-24-20(31)11-12-30(25(24)34)15-17-7-5-6-8-18(17)27/h5-13,19,34H,3-4,14-15H2,1-2H3,(H,32,33)(H2,28,29,35)