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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]nipecotic 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=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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