1-[(3-bromophenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]nipecotic acid Formula: C20H21BrFNO3 MolecularWeight: 422.288043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O)F

InChI

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