1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]nipecotic acid Formula: C23H28BrNO6 MolecularWeight: 494.37552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C23H28BrNO6/c1-28-18-8-7-14(10-19(18)29-2)22(25-9-5-6-15(13-25)23(26)27)16-11-20(30-3)21(31-4)12-17(16)24/h7-8,10-12,15,22H,5-6,9,13H2,1-4H3,(H,26,27)