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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H24BrNO4/c1-26-18-8-5-6-16(20(18)27-2)19(14-9-11-15(22)12-10-14)23-13-4-3-7-17(23)21(24)25/h5-6,8-12,17,19H,3-4,7,13H2,1-2H3,(H,24,25)