4-[4-(4-octoxyphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-(4-octoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(4-octoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(4-octoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(4-octoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(4-octoxyphenyl)piperazino]benzoic acid Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H34N2O3/c1-2-3-4-5-6-7-20-30-24-14-12-23(13-15-24)27-18-16-26(17-19-27)22-10-8-21(9-11-22)25(28)29/h8-15H,2-7,16-20H2,1H3,(H,28,29)