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

Systemtic Name: 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]benzoic acid Openeye Name: 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]benzoic acid CAS Name: 3-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]propoxy]benzoic acid IUPAC Name: 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]benzoic acid Traditional Name: 3-[3-[4-(2,3-dimethylphenyl)piperazino]propoxy]benzoic acid Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCCOC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCCOC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C22H28N2O3/c1-17-6-3-9-21(18(17)2)24-13-11-23(12-14-24)10-5-15-27-20-8-4-7-19(16-20)22(25)26/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,25,26)