methyl 3-[3-cyano-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-methyl-hexan-3-yl]benzoate

Systemtic Name: methyl 3-[3-cyano-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-methyl-hexan-3-yl]benzoate Openeye Name: methyl 3-[1-cyano-4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-isopropyl-butyl]benzoate CAS Name: 3-[3-cyano-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methylhexan-3-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-cyano-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methylhexan-3-yl]benzoate Traditional Name: 3-[1-cyano-4-[homoveratryl(methyl)amino]-1-isopropyl-butyl]benzoic acid methyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-10-7-9-22(18-23)26(30)33-6)14-8-15-29(3)16-13-21-11-12-24(31-4)25(17-21)32-5/h7,9-12,17-18,20H,8,13-16H2,1-6H3