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

Systemtic Name: propan-2-yl 4-[3-cyano-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-methyl-hexan-3-yl]benzoate Openeye Name: isopropyl 4-[1-cyano-4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-isopropyl-butyl]benzoate CAS Name: 4-[3-cyano-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methylhexan-3-yl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-cyano-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methylhexan-3-yl]benzoate Traditional Name: 4-[1-cyano-4-[homoveratryl(methyl)amino]-1-isopropyl-butyl]benzoic acid isopropyl ester Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4/c1-21(2)29(20-30,25-12-10-24(11-13-25)28(32)35-22(3)4)16-8-17-31(5)18-15-23-9-14-26(33-6)27(19-23)34-7/h9-14,19,21-22H,8,15-18H2,1-7H3