4-[4-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[4-[4-[4-(p-tolyl)piperazin-1-yl]butyl]phenyl]butanoic acid CAS Name: 4-[4-[4-[4-(4-methylphenyl)-1-piperazinyl]butyl]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[4-[4-(p-tolyl)piperazino]butyl]phenyl]butyric acid Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)CCCCC3=CC=C(C=C3)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)CCCCC3=CC=C(C=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C25H32N2O3/c1-20-5-11-23(12-6-20)27-18-16-26(17-19-27)15-3-2-4-21-7-9-22(10-8-21)24(28)13-14-25(29)30/h5-12H,2-4,13-19H2,1H3,(H,29,30)