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

Systemtic Name: methyl 4-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]benzoate Openeye Name: methyl 4-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]benzoate CAS Name: 4-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate Traditional Name: 4-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]benzoic acid methyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-12-13-24(31-4)25(18-23)32-5)15-7-16-29(3)17-14-21-8-10-22(11-9-21)26(30)33-6/h8-13,18,20H,7,14-17H2,1-6H3