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

Systemtic Name: 3-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]benzoic acid Openeye Name: 3-[3-[4-(m-tolyl)piperazin-1-yl]propoxy]benzoic acid CAS Name: 3-[3-[4-(3-methylphenyl)-1-piperazinyl]propoxy]benzoic acid IUPAC Name: 3-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]benzoic acid Traditional Name: 3-[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(=C3)C(=O)O

Isomeric SMILES

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

InChI

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