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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-bromophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-bromophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]nipecotic acid Formula: C21H23Br2NO4 MolecularWeight: 513.21962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Br2NO4/c1-27-18-10-15(17(23)11-19(18)28-2)20(14-7-3-4-8-16(14)22)24-9-5-6-13(12-24)21(25)26/h3-4,7-8,10-11,13,20H,5-6,9,12H2,1-2H3,(H,25,26)