3-[[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[1-[(2-chlorophenyl)methyl]-2-hydroxy-5-methyl-4-oxo-3-pyridyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[[[1-[(2-chlorophenyl)methyl]-2-hydroxy-5-methyl-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[1-[(2-chlorophenyl)methyl]-2-hydroxy-5-methyl-4-oxopyridin-3-yl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 3-[[1-(2-chlorobenzyl)-2-hydroxy-4-keto-5-methyl-3-pyridyl]carbamoylamino]-3-phenyl-propionic acid Formula: C23H22ClN3O5 MolecularWeight: 455.89088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C(C1=O)NC(=O)NC(CC(=O)O)C2=CC=CC=C2)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CN(C(=C(C1=O)NC(=O)NC(CC(=O)O)C2=CC=CC=C2)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H22ClN3O5/c1-14-12-27(13-16-9-5-6-10-17(16)24)22(31)20(21(14)30)26-23(32)25-18(11-19(28)29)15-7-3-2-4-8-15/h2-10,12,18,31H,11,13H2,1H3,(H,28,29)(H2,25,26,32)