[2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: [2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: [2-(4-heptylphenyl)-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid [2-(4-heptylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-heptylphenyl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(veratroylamino)propionic acid [2-(4-heptylphenyl)-2-keto-ethyl] ester Formula: C33H39NO6 MolecularWeight: 545.66586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C33H39NO6/c1-4-5-6-7-9-12-24-15-17-26(18-16-24)29(35)23-40-33(37)28(21-25-13-10-8-11-14-25)34-32(36)27-19-20-30(38-2)31(22-27)39-3/h8,10-11,13-20,22,28H,4-7,9,12,21,23H2,1-3H3,(H,34,36)