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

Systemtic Name: 1-[(4-bromophenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(4-dimethylaminophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(4-dimethylaminophenyl)methyl]nipecotic 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=C(C=C2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O2/c1-23(2)19-11-7-16(8-12-19)20(15-5-9-18(22)10-6-15)24-13-3-4-17(14-24)21(25)26/h5-12,17,20H,3-4,13-14H2,1-2H3,(H,25,26)