3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]benzoic acid

Systemtic Name: 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]benzoic acid Openeye Name: 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]benzoic acid CAS Name: 3-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethoxy]benzoic acid IUPAC Name: 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]benzoic acid Traditional Name: 3-[2-[4-(2,3-dimethylphenyl)piperazino]ethoxy]benzoic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCOC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCOC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C21H26N2O3/c1-16-5-3-8-20(17(16)2)23-11-9-22(10-12-23)13-14-26-19-7-4-6-18(15-19)21(24)25/h3-8,15H,9-14H2,1-2H3,(H,24,25)