1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid Formula: C22H26BrNO5 MolecularWeight: 464.34954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO5/c1-27-18-9-8-16(20(28-2)21(18)29-3)19(15-6-4-5-7-17(15)23)24-12-10-14(11-13-24)22(25)26/h4-9,14,19H,10-13H2,1-3H3,(H,25,26)