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

Systemtic Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-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=C4)Br

Isomeric SMILES

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

InChI

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