methyl 4-[[1-[2-(3-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[[1-[2-(3-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoate Openeye Name: methyl 4-[[1-[2-(3-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoate CAS Name: 4-[[1-[2-(3-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(3-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methyl-methylamino]benzoate Traditional Name: 4-[[1-[2-(3-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=CC(=C2)C#N)O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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