1-[(5-chloranyl-2-methoxy-phenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]nipecotic acid Formula: C27H28ClNO4 MolecularWeight: 465.96852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C27H28ClNO4/c1-32-24-14-13-21(28)16-23(24)26(29-15-7-10-20(17-29)27(30)31)22-11-5-6-12-25(22)33-18-19-8-3-2-4-9-19/h2-6,8-9,11-14,16,20,26H,7,10,15,17-18H2,1H3,(H,30,31)