4-(4-chlorophenyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-(4-chlorophenyl)-3-ethyl-piperidine-3-carboxylic acid CAS Name: 4-(4-chlorophenyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(4-chlorophenyl)-3-ethyl-nipecotic acid Formula: C19H26ClNO4 MolecularWeight: 367.86704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(CCC1C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCC1(CN(CCC1C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C19H26ClNO4/c1-5-19(16(22)23)12-21(17(24)25-18(2,3)4)11-10-15(19)13-6-8-14(20)9-7-13/h6-9,15H,5,10-12H2,1-4H3,(H,22,23)