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

Systemtic Name: 4-[4-(4-heptoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(4-heptoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(4-heptoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(4-heptoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(4-heptoxyphenyl)piperazino]benzoic acid Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H32N2O3/c1-2-3-4-5-6-19-29-23-13-11-22(12-14-23)26-17-15-25(16-18-26)21-9-7-20(8-10-21)24(27)28/h7-14H,2-6,15-19H2,1H3,(H,27,28)