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

Systemtic Name: 3-(4-methoxy-3-methyl-phenyl)-3-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]propanoic acid Openeye Name: 3-[2-(3-benzyl-5-methyl-2-oxo-1-pyridyl)hexanoylamino]-3-(4-methoxy-3-methyl-phenyl)propanoic acid CAS Name: 3-(4-methoxy-3-methylphenyl)-3-[[2-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-1-oxohexyl]amino]propanoic acid IUPAC Name: 3-[2-(3-benzyl-5-methyl-2-oxopyridin-1-yl)hexanoylamino]-3-(4-methoxy-3-methylphenyl)propanoic acid Traditional Name: 3-[2-(3-benzyl-2-keto-5-methyl-1-pyridyl)hexanoylamino]-3-(4-methoxy-3-methyl-phenyl)propionic acid Formula: C30H36N2O5 MolecularWeight: 504.61724

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H36N2O5/c1-5-6-12-26(32-19-20(2)15-24(30(32)36)17-22-10-8-7-9-11-22)29(35)31-25(18-28(33)34)23-13-14-27(37-4)21(3)16-23/h7-11,13-16,19,25-26H,5-6,12,17-18H2,1-4H3,(H,31,35)(H,33,34)