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

Systemtic Name: propan-2-yl 3-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]benzoate Openeye Name: isopropyl 3-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]benzoate CAS Name: 3-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate Traditional Name: 3-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]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=CC(=C1)C(=O)OC(C)C)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4/c1-21(2)29(20-30,25-12-13-26(33-6)27(19-25)34-7)15-9-16-31(5)17-14-23-10-8-11-24(18-23)28(32)35-22(3)4/h8,10-13,18-19,21-22H,9,14-17H2,1-7H3