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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O)F

InChI

InChI=1S/C20H20Cl2FNO3/c1-27-18-8-6-13(11-16(18)23)19(12-5-7-14(21)15(22)10-12)24-9-3-2-4-17(24)20(25)26/h5-8,10-11,17,19H,2-4,9H2,1H3,(H,25,26)