[1-(3-cyanophenyl)-2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: [1-(3-cyanophenyl)-2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [1-(3-cyanophenyl)-2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [1-(3-cyanophenyl)-2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [1-(3-cyanophenyl)-2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [1-(3-cyanophenyl)-2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C29H28N2O7 MolecularWeight: 516.54182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C(C2=CC=CC(=C2)C#N)OC(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C(C2=CC=CC(=C2)C#N)OC(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H28N2O7/c1-35-24-15-20(16-25(36-2)28(24)37-3)18-31-29(34)27(22-11-7-8-19(14-22)17-30)38-26(33)13-12-23(32)21-9-5-4-6-10-21/h4-11,14-16,27H,12-13,18H2,1-3H3,(H,31,34)