1-[(5-chloranyl-2-methoxy-phenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C26H26ClNO4/c1-31-24-11-10-20(27)17-23(24)25(28-14-12-18(13-15-28)26(29)30)19-6-5-9-22(16-19)32-21-7-3-2-4-8-21/h2-11,16-18,25H,12-15H2,1H3,(H,29,30)