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

Systemtic Name: 1-[(2-bromophenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C25H24BrNO2 MolecularWeight: 450.36756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4Br)C(=O)O

InChI

InChI=1S/C25H24BrNO2/c26-23-11-5-4-10-22(23)24(27-16-6-9-21(17-27)25(28)29)20-14-12-19(13-15-20)18-7-2-1-3-8-18/h1-5,7-8,10-15,21,24H,6,9,16-17H2,(H,28,29)