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

Systemtic Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzoic acid Openeye Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzoic acid CAS Name: 3-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]benzoic acid IUPAC Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]benzoic acid Traditional Name: 3-[3-[4-(2-methoxyphenyl)piperazino]propoxy]benzoic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H26N2O4/c1-26-20-9-3-2-8-19(20)23-13-11-22(12-14-23)10-5-15-27-18-7-4-6-17(16-18)21(24)25/h2-4,6-9,16H,5,10-15H2,1H3,(H,24,25)