4-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-[4-(m-tolyl)piperazin-1-yl]butyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[4-[4-(m-tolyl)piperazino]butyl]phenyl]butyric acid Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-20-5-4-7-23(19-20)27-17-15-26(16-18-27)14-3-2-6-21-8-10-22(11-9-21)24(28)12-13-25(29)30/h4-5,7-11,19H,2-3,6,12-18H2,1H3,(H,29,30)