1-[(2,4-dichlorophenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]isonipecotic acid Formula: C20H20Cl2FNO3 MolecularWeight: 412.282103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C20H20Cl2FNO3/c1-27-18-5-2-13(10-17(18)23)19(15-4-3-14(21)11-16(15)22)24-8-6-12(7-9-24)20(25)26/h2-5,10-12,19H,6-9H2,1H3,(H,25,26)