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

Systemtic Name: tert-butyl 4-[[2-[1-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methylamino]benzoate Openeye Name: tert-butyl 4-[[2-[1-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylamino]benzoate CAS Name: 4-[[2-[1-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[1-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methylamino]benzoate Traditional Name: 4-[[2-[1-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylamino]benzoic acid tert-butyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(CCN1)(CNC2=CC=C(C=C2)C(=O)OC(C)(C)C)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C1CC(CCN1)(CNC2=CC=C(C=C2)C(=O)OC(C)(C)C)O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H33N3O3/c1-18(20-7-5-19(16-27)6-8-20)23-15-26(31,13-14-28-23)17-29-22-11-9-21(10-12-22)24(30)32-25(2,3)4/h5-12,18,23,28-29,31H,13-15,17H2,1-4H3