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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCC(CC3)C(=O)O

InChI

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