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

Systemtic Name: 4-[4-(4-pentoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(4-pentoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(4-pentoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(4-pentoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(4-amoxyphenyl)piperazino]benzoic acid Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H28N2O3/c1-2-3-4-17-27-21-11-9-20(10-12-21)24-15-13-23(14-16-24)19-7-5-18(6-8-19)22(25)26/h5-12H,2-4,13-17H2,1H3,(H,25,26)