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

Systemtic Name: 1-[(4-bromophenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]pipecolinic 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=C(C=C2)Br)N3CCCCC3C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O)F

InChI

InChI=1S/C20H21BrFNO3/c1-26-18-10-7-14(12-16(18)22)19(13-5-8-15(21)9-6-13)23-11-3-2-4-17(23)20(24)25/h5-10,12,17,19H,2-4,11H2,1H3,(H,24,25)