4-[(3-cyanophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Systemtic Name: 4-[(3-cyanophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(3-cyanophenyl)methylamino]piperidine-3-carboxylic acid CAS Name: 4-[(3-cyanophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[(3-cyanophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(3-cyanobenzyl)amino]nipecotic acid Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)NCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)NCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C19H25N3O4/c1-19(2,3)26-18(25)22-8-7-16(15(12-22)17(23)24)21-11-14-6-4-5-13(9-14)10-20/h4-6,9,15-16,21H,7-8,11-12H2,1-3H3,(H,23,24)