1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]isonipecotic acid Formula: C23H28BrNO6 MolecularWeight: 494.37552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C=C2Br)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C=C2Br)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H28BrNO6/c1-28-17-6-5-7-18(29-2)21(17)22(25-10-8-14(9-11-25)23(26)27)15-12-19(30-3)20(31-4)13-16(15)24/h5-7,12-14,22H,8-11H2,1-4H3,(H,26,27)