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

Systemtic Name: 1-[(4-bromophenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(5-fluoro-2-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)F)C(C2=CC=C(C=C2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrFNO3/c1-26-18-9-8-16(22)11-17(18)19(13-4-6-15(21)7-5-13)23-10-2-3-14(12-23)20(24)25/h4-9,11,14,19H,2-3,10,12H2,1H3,(H,24,25)