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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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