3-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[2-(3-benzyl-5-methyl-2-oxo-1-pyridyl)hexanoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[2-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-1-oxohexyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[2-(3-benzyl-5-methyl-2-oxopyridin-1-yl)hexanoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[2-(3-benzyl-2-keto-5-methyl-1-pyridyl)hexanoylamino]-3-(p-tolyl)propionic acid Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C1=CC=C(C=C1)C)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCC(C(=O)NC(CC(=O)O)C1=CC=C(C=C1)C)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C29H34N2O4/c1-4-5-11-26(28(34)30-25(18-27(32)33)23-14-12-20(2)13-15-23)31-19-21(3)16-24(29(31)35)17-22-9-7-6-8-10-22/h6-10,12-16,19,25-26H,4-5,11,17-18H2,1-3H3,(H,30,34)(H,32,33)