ethyl 2-cyano-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pentanoate

Systemtic Name: ethyl 2-cyano-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pentanoate Openeye Name: ethyl 2-cyano-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pentanoate CAS Name: 2-cyano-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pentanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pentanoate Traditional Name: 2-cyano-2-(3,4-dimethoxyphenyl)-5-[homoveratryl(methyl)amino]valeric acid ethyl ester Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C27H36N2O6/c1-7-35-26(30)27(19-28,21-10-12-23(32-4)25(18-21)34-6)14-8-15-29(2)16-13-20-9-11-22(31-3)24(17-20)33-5/h9-12,17-18H,7-8,13-16H2,1-6H3