1-[(5-chloranyl-2-methoxy-phenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]pipecolinic 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=C(C=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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