2-[(4-chlorophenyl)methyl]-1-phenylmethoxycarbonyl-piperidine-3,3-dicarboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-1-phenylmethoxycarbonyl-piperidine-3,3-dicarboxylic acid Openeye Name: 1-benzyloxycarbonyl-2-[(4-chlorophenyl)methyl]piperidine-3,3-dicarboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-1-phenylmethoxycarbonylpiperidine-3,3-dicarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-1-phenylmethoxycarbonylpiperidine-3,3-dicarboxylic acid Traditional Name: 1-carbobenzoxy-2-(4-chlorobenzyl)piperidine-3,3-dicarboxylic acid Formula: C22H22ClNO6 MolecularWeight: 431.86618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)Cl)(C(=O)O)C(=O)O

Isomeric SMILES

C1CC(C(N(C1)C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)Cl)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H22ClNO6/c23-17-9-7-15(8-10-17)13-18-22(19(25)26,20(27)28)11-4-12-24(18)21(29)30-14-16-5-2-1-3-6-16/h1-3,5-10,18H,4,11-14H2,(H,25,26)(H,27,28)