tert-butyl 4-[[4-(4-cyanophenyl)-2-(4-oxidanylpiperidin-4-yl)butyl]amino]benzoate

Systemtic Name: tert-butyl 4-[[4-(4-cyanophenyl)-2-(4-oxidanylpiperidin-4-yl)butyl]amino]benzoate Openeye Name: tert-butyl 4-[[4-(4-cyanophenyl)-2-(4-hydroxy-4-piperidyl)butyl]amino]benzoate CAS Name: 4-[[4-(4-cyanophenyl)-2-(4-hydroxy-4-piperidinyl)butyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-cyanophenyl)-2-(4-hydroxypiperidin-4-yl)butyl]amino]benzoate Traditional Name: 4-[[4-(4-cyanophenyl)-2-(4-hydroxy-4-piperidyl)butyl]amino]benzoic acid tert-butyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O3/c1-26(2,3)33-25(31)22-9-12-24(13-10-22)30-19-23(27(32)14-16-29-17-15-27)11-8-20-4-6-21(18-28)7-5-20/h4-7,9-10,12-13,23,29-30,32H,8,11,14-17,19H2,1-3H3