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

Systemtic Name: 4-[(3,4-dichlorophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(3,4-dichlorophenyl)methylamino]piperidine-3-carboxylic acid CAS Name: 4-[(3,4-dichlorophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[(3,4-dichlorophenyl)methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(3,4-dichlorobenzyl)amino]nipecotic acid Formula: C18H24Cl2N2O4 MolecularWeight: 403.30016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24Cl2N2O4/c1-18(2,3)26-17(25)22-7-6-15(12(10-22)16(23)24)21-9-11-4-5-13(19)14(20)8-11/h4-5,8,12,15,21H,6-7,9-10H2,1-3H3,(H,23,24)