4-[5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-yl]butanoic acid

Systemtic Name: 4-[5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-yl]butanoic acid Openeye Name: 4-[5-(3-ethyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-yl]butanoic acid CAS Name: 4-[5-(3-ethyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-4-(1-methyl-2-benzimidazolyl)-1,2-dihydropyrazol-3-yl]butanoic acid IUPAC Name: 4-[5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-yl]butanoic acid Traditional Name: 4-[5-(3-ethyl-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-(1-methylbenzimidazol-2-yl)-3-pyrazolin-3-yl]butyric acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)CCCC(=O)O)C3=NC4=CC=CC=C4N3C)C(=O)C=C1O

Isomeric SMILES

CCC1=CC(=C2C(=C(NN2)CCCC(=O)O)C3=NC4=CC=CC=C4N3C)C(=O)C=C1O

InChI

InChI=1S/C23H24N4O4/c1-3-13-11-14(19(29)12-18(13)28)22-21(16(25-26-22)8-6-10-20(30)31)23-24-15-7-4-5-9-17(15)27(23)2/h4-5,7,9,11-12,25-26,28H,3,6,8,10H2,1-2H3,(H,30,31)