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

Systemtic Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoate Openeye Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoate CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methyl-methylamino]benzoate Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoic acid methyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-26(22-9-7-21(8-10-22)23(28)30-2)18-24(29)12-15-27(16-13-24)14-11-19-3-5-20(17-25)6-4-19/h3-10,29H,11-16,18H2,1-2H3