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

Systemtic Name: butyl 3-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C30H42N2O4 MolecularWeight: 494.66548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)CCN(C)CCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)CCN(C)CCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C

InChI

InChI=1S/C30H42N2O4/c1-7-8-19-36-29(33)25-12-9-11-24(20-25)15-18-32(4)17-10-16-30(22-31,23(2)3)26-13-14-27(34-5)28(21-26)35-6/h9,11-14,20-21,23H,7-8,10,15-19H2,1-6H3