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

Systemtic Name: 4-[4-(4-hexylphenyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(4-hexylphenyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(4-hexylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(4-hexylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(4-hexylphenyl)piperazino]benzoic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H30N2O2/c1-2-3-4-5-6-19-7-11-21(12-8-19)24-15-17-25(18-16-24)22-13-9-20(10-14-22)23(26)27/h7-14H,2-6,15-18H2,1H3,(H,26,27)