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

Systemtic Name: 4-[4-(3-hexoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(3-hexoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(3-hexoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(3-hexoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(3-hexoxyphenyl)piperazino]benzoic acid Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H30N2O3/c1-2-3-4-5-17-28-22-8-6-7-21(18-22)25-15-13-24(14-16-25)20-11-9-19(10-12-20)23(26)27/h6-12,18H,2-5,13-17H2,1H3,(H,26,27)