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

Systemtic Name: 1-[(3-bromophenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-dimethylaminophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O2/c1-23(2)19-8-6-15(7-9-19)20(17-4-3-5-18(22)14-17)24-12-10-16(11-13-24)21(25)26/h3-9,14,16,20H,10-13H2,1-2H3,(H,25,26)