1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(o-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(o-tolyl)methyl]pipecolinic acid Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=C(C=C2Br)OC)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=C(C=C2Br)OC)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H26BrNO4/c1-14-8-4-5-9-15(14)21(24-11-7-6-10-18(24)22(25)26)16-12-19(27-2)20(28-3)13-17(16)23/h4-5,8-9,12-13,18,21H,6-7,10-11H2,1-3H3,(H,25,26)