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

Systemtic Name: 4-[(3-bromophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Openeye Name: 4-[(3-bromophenyl)methylamino]-1-tert-butoxycarbonyl-piperidine-3-carboxylic acid CAS Name: 4-[(3-bromophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[(3-bromophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Traditional Name: 4-[(3-bromobenzyl)amino]-1-tert-butoxycarbonyl-nipecotic acid Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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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)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)NCC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H25BrN2O4/c1-18(2,3)25-17(24)21-8-7-15(14(11-21)16(22)23)20-10-12-5-4-6-13(19)9-12/h4-6,9,14-15,20H,7-8,10-11H2,1-3H3,(H,22,23)