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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=CC=C2Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=CC=C2Br)N3CCC(CC3)C(=O)O

InChI

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