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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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