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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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