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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]nipecotic acid Formula: C20H20Cl2FNO3 MolecularWeight: 412.282103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H20Cl2FNO3/c1-27-18-7-5-14(23)10-16(18)19(15-6-4-13(21)9-17(15)22)24-8-2-3-12(11-24)20(25)26/h4-7,9-10,12,19H,2-3,8,11H2,1H3,(H,25,26)