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

Systemtic Name: tert-butyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-oxidanyl-piperidin-3-yl]methyl-methyl-amino]benzoate Openeye Name: tert-butyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-3-piperidyl]methyl-methyl-amino]benzoate CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-3-piperidinyl]methyl-methylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxypiperidin-3-yl]methyl-methylamino]benzoate Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-3-hydroxy-3-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(CCCN(C2)CCC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(C)CC2(CCCN(C2)CCC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C27H35N3O3/c1-26(2,3)33-25(31)23-10-12-24(13-11-23)29(4)19-27(32)15-5-16-30(20-27)17-14-21-6-8-22(18-28)9-7-21/h6-13,32H,5,14-17,19-20H2,1-4H3