1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]pipecolinic acid Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H24BrNO4/c1-26-16-10-11-19(27-2)17(13-16)20(14-6-8-15(22)9-7-14)23-12-4-3-5-18(23)21(24)25/h6-11,13,18,20H,3-5,12H2,1-2H3,(H,24,25)