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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]isonipecotic acid Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO4/c1-14-9-15(2)11-17(10-14)22(25-7-5-16(6-8-25)23(26)27)18-12-20(28-3)21(29-4)13-19(18)24/h9-13,16,22H,5-8H2,1-4H3,(H,26,27)