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

Systemtic Name: 3-[2-[3-[(2-chlorophenyl)methyl]-5-methyl-2-oxidanylidene-pyridin-1-yl]hexanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[2-[3-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-pyridyl]hexanoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[2-[3-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-pyridinyl]-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[2-[3-[(2-chlorophenyl)methyl]-5-methyl-2-oxopyridin-1-yl]hexanoylamino]-3-phenylpropanoic acid Traditional Name: 3-[2-[3-(2-chlorobenzyl)-2-keto-5-methyl-1-pyridyl]hexanoylamino]-3-phenyl-propionic acid Formula: C28H31ClN2O4 MolecularWeight: 495.00974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C1=CC=CC=C1)N2C=C(C=C(C2=O)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCC(C(=O)NC(CC(=O)O)C1=CC=CC=C1)N2C=C(C=C(C2=O)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C28H31ClN2O4/c1-3-4-14-25(27(34)30-24(17-26(32)33)20-10-6-5-7-11-20)31-18-19(2)15-22(28(31)35)16-21-12-8-9-13-23(21)29/h5-13,15,18,24-25H,3-4,14,16-17H2,1-2H3,(H,30,34)(H,32,33)