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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCCOC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCCOC3=CC=CC=C3C(=O)O)C

InChI

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