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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O)OC

InChI

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