1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-dimethylaminophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C23H29BrN2O4 MolecularWeight: 477.39136

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H29BrN2O4/c1-25(2)17-7-5-15(6-8-17)22(26-11-9-16(10-12-26)23(27)28)18-13-20(29-3)21(30-4)14-19(18)24/h5-8,13-14,16,22H,9-12H2,1-4H3,(H,27,28)