methyl 4-[2-cyano-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-methoxy-1-oxidanylidene-pentan-2-yl]benzoate

Systemtic Name: methyl 4-[2-cyano-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-methoxy-1-oxidanylidene-pentan-2-yl]benzoate Openeye Name: methyl 4-[1-cyano-4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-methoxycarbonyl-butyl]benzoate CAS Name: 4-[2-cyano-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-methoxy-1-oxopentan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-cyano-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-methoxy-1-oxopentan-2-yl]benzoate Traditional Name: 4-[1-carbomethoxy-1-cyano-4-[homoveratryl(methyl)amino]butyl]benzoic acid methyl ester Formula: C26H32N2O6 MolecularWeight: 468.54208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(C#N)(C1=CC=C(C=C1)C(=O)OC)C(=O)OC)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN(CCCC(C#N)(C1=CC=C(C=C1)C(=O)OC)C(=O)OC)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C26H32N2O6/c1-28(16-13-19-7-12-22(31-2)23(17-19)32-3)15-6-14-26(18-27,25(30)34-5)21-10-8-20(9-11-21)24(29)33-4/h7-12,17H,6,13-16H2,1-5H3