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

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

Isomeric SMILES

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

InChI

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