tert-butyl 4-[[3-(4-cyanophenyl)-1-(4-oxidanylpiperidin-4-yl)propyl]amino]benzoate

Systemtic Name: tert-butyl 4-[[3-(4-cyanophenyl)-1-(4-oxidanylpiperidin-4-yl)propyl]amino]benzoate Openeye Name: tert-butyl 4-[[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidyl)propyl]amino]benzoate CAS Name: 4-[[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidinyl)propyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(4-cyanophenyl)-1-(4-hydroxypiperidin-4-yl)propyl]amino]benzoate Traditional Name: 4-[[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidyl)propyl]amino]benzoic acid tert-butyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC(CCC2=CC=C(C=C2)C#N)C3(CCNCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC(CCC2=CC=C(C=C2)C#N)C3(CCNCC3)O

InChI

InChI=1S/C26H33N3O3/c1-25(2,3)32-24(30)21-9-11-22(12-10-21)29-23(26(31)14-16-28-17-15-26)13-8-19-4-6-20(18-27)7-5-19/h4-7,9-12,23,28-29,31H,8,13-17H2,1-3H3