2-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-1-phenylmethoxycarbonyl-piperidine-3-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-1-phenylmethoxycarbonyl-piperidine-3-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-2-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-piperidine-3-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-1-phenylmethoxycarbonyl-3-piperidinecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-ethoxycarbonyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid Traditional Name: 3-carbethoxy-1-carbobenzoxy-2-(4-chlorobenzyl)nipecotic acid Formula: C24H26ClNO6 MolecularWeight: 459.91934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1CC2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCCN(C1CC2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H26ClNO6/c1-2-31-22(29)24(21(27)28)13-6-14-26(20(24)15-17-9-11-19(25)12-10-17)23(30)32-16-18-7-4-3-5-8-18/h3-5,7-12,20H,2,6,13-16H2,1H3,(H,27,28)