4-[[2-[4-(4-methylphenyl)piperazin-1-yl]carbonylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[4-(4-methylphenyl)piperazin-1-yl]carbonylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[2-[4-(p-tolyl)piperazine-1-carbonyl]anilino]butanoic acid CAS Name: 4-[2-[[4-(4-methylphenyl)-1-piperazinyl]-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-[4-(p-tolyl)piperazine-1-carbonyl]anilino]butyric acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)CCC(=O)O

InChI

InChI=1S/C22H25N3O4/c1-16-6-8-17(9-7-16)24-12-14-25(15-13-24)22(29)18-4-2-3-5-19(18)23-20(26)10-11-21(27)28/h2-9H,10-15H2,1H3,(H,23,26)(H,27,28)