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

Systemtic Name: 1-[(4-bromophenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]isonipecotic acid Formula: C20H21BrFNO3 MolecularWeight: 422.288043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrFNO3/c1-26-18-7-6-16(22)12-17(18)19(13-2-4-15(21)5-3-13)23-10-8-14(9-11-23)20(24)25/h2-7,12,14,19H,8-11H2,1H3,(H,24,25)