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

Systemtic Name: tert-butyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(C)CC2(CCN(CC2)CCC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(C)CC2(CCN(CC2)CCC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C27H35N3O3/c1-26(2,3)33-25(31)23-9-11-24(12-10-23)29(4)20-27(32)14-17-30(18-15-27)16-13-21-5-7-22(19-28)8-6-21/h5-12,32H,13-18,20H2,1-4H3