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

Systemtic Name: 2-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]benzoic acid Openeye Name: 2-[3-[4-(m-tolyl)piperazin-1-yl]propoxy]benzoic acid CAS Name: 2-[3-[4-(3-methylphenyl)-1-piperazinyl]propoxy]benzoic acid IUPAC Name: 2-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]benzoic acid Traditional Name: 2-[3-[4-(m-tolyl)piperazino]propoxy]benzoic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-17-6-4-7-18(16-17)23-13-11-22(12-14-23)10-5-15-26-20-9-3-2-8-19(20)21(24)25/h2-4,6-9,16H,5,10-15H2,1H3,(H,24,25)