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1-[(4-bromophenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid

1-[(4-bromophenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name:1-[(4-bromophenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid
Openeye Name:1-[(4-bromophenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CAS Name:1-[(4-bromophenyl)-(2,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[(4-bromophenyl)-(2,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid
Traditional Name:1-[(4-bromophenyl)-(2,5-dimethylphenyl)methyl]isonipecotic acid
Formula: C21H24BrNO2
MolecularWeight: 402.32476
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=C(C=C2)Br)N3CCC(CC3)C(=O)O


Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=C(C=C2)Br)N3CCC(CC3)C(=O)O


InChI

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


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