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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-fluoro-4-methoxy-phenyl)methyl]isonipecotic acid Formula: C21H23ClFNO4 MolecularWeight: 407.863023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFNO4/c1-27-18-6-4-15(22)12-16(18)20(14-3-5-19(28-2)17(23)11-14)24-9-7-13(8-10-24)21(25)26/h3-6,11-13,20H,7-10H2,1-2H3,(H,25,26)