methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-methoxy-piperidin-4-yl]methyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-methoxy-piperidin-4-yl]methyl-methyl-amino]benzoate Openeye Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-methoxy-4-piperidyl]methyl-methyl-amino]benzoate CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-methoxy-4-piperidinyl]methyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-methoxypiperidin-4-yl]methyl-methylamino]benzoate Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-methoxy-4-piperidyl]methyl-methyl-amino]benzoic acid methyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)OC)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)OC)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H31N3O3/c1-27(23-10-8-22(9-11-23)24(29)30-2)19-25(31-3)13-16-28(17-14-25)15-12-20-4-6-21(18-26)7-5-20/h4-11H,12-17,19H2,1-3H3