1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]isonipecotic acid Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H24BrNO4/c1-26-17-7-4-8-18(27-2)19(17)20(15-5-3-6-16(22)13-15)23-11-9-14(10-12-23)21(24)25/h3-8,13-14,20H,9-12H2,1-2H3,(H,24,25)