4-[4-[4-(4-methylpentoxy)phenyl]piperazin-1-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)CCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H30N2O3/c1-18(2)4-3-17-28-22-11-9-21(10-12-22)25-15-13-24(14-16-25)20-7-5-19(6-8-20)23(26)27/h5-12,18H,3-4,13-17H2,1-2H3,(H,26,27)