1-[(2-bromophenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(2,4-dimethylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(2,4-dimethylphenyl)methyl]pipecolinic acid Formula: C21H24BrNO2 MolecularWeight: 402.32476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C21H24BrNO2/c1-14-10-11-16(15(2)13-14)20(17-7-3-4-8-18(17)22)23-12-6-5-9-19(23)21(24)25/h3-4,7-8,10-11,13,19-20H,5-6,9,12H2,1-2H3,(H,24,25)