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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCCC3C(=O)O)C

InChI

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