1-[(2-bromophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(3-fluorophenyl)methyl]nipecotic acid Formula: C19H19BrFNO2 MolecularWeight: 392.262063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)F)C3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)F)C3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C19H19BrFNO2/c20-17-9-2-1-8-16(17)18(13-5-3-7-15(21)11-13)22-10-4-6-14(12-22)19(23)24/h1-3,5,7-9,11,14,18H,4,6,10,12H2,(H,23,24)