3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(2,4-dimethoxyphenyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-(2,4-dimethoxyphenyl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(2,4-dimethoxyphenyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(2,4-dimethoxyphenyl)piperazine-1-carbonyl]benzoic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)O)OC

InChI

InChI=1S/C20H22N2O5/c1-26-16-6-7-17(18(13-16)27-2)21-8-10-22(11-9-21)19(23)14-4-3-5-15(12-14)20(24)25/h3-7,12-13H,8-11H2,1-2H3,(H,24,25)