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

Systemtic Name: 1-[(4-bromophenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2,4-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(2,4-dimethylphenyl)methyl]nipecotic acid Formula: C21H24BrNO2 MolecularWeight: 402.32476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C21H24BrNO2/c1-14-5-10-19(15(2)12-14)20(16-6-8-18(22)9-7-16)23-11-3-4-17(13-23)21(24)25/h5-10,12,17,20H,3-4,11,13H2,1-2H3,(H,24,25)