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

Systemtic Name: 3-(3-ethoxy-4-methoxy-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-(3-ethoxy-4-methoxy-phenyl)propanoic acid CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-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-(3-ethoxy-4-methoxyphenyl)propanoic acid Traditional Name: 3-[2-(3-benzyl-2-keto-5-methyl-1-pyridyl)hexanoylamino]-3-(3-ethoxy-4-methoxy-phenyl)propionic acid Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H38N2O6/c1-5-7-13-26(33-20-21(3)16-24(31(33)37)17-22-11-9-8-10-12-22)30(36)32-25(19-29(34)35)23-14-15-27(38-4)28(18-23)39-6-2/h8-12,14-16,18,20,25-26H,5-7,13,17,19H2,1-4H3,(H,32,36)(H,34,35)