1-[(2-bromophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C25H24BrNO3 MolecularWeight: 466.36696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C25H24BrNO3/c26-23-12-5-4-11-22(23)24(27-15-13-18(14-16-27)25(28)29)19-7-6-10-21(17-19)30-20-8-2-1-3-9-20/h1-12,17-18,24H,13-16H2,(H,28,29)