1-[(4-chlorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid Openeye Name: 4-(tert-butoxycarbonylamino)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-chlorophenyl)methyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid Traditional Name: 4-(tert-butoxycarbonylamino)-1-(4-chlorobenzyl)isonipecotic acid Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCN(CC1)CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CCN(CC1)CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H25ClN2O4/c1-17(2,3)25-16(24)20-18(15(22)23)8-10-21(11-9-18)12-13-4-6-14(19)7-5-13/h4-7H,8-12H2,1-3H3,(H,20,24)(H,22,23)