[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O4/c1-16-12-17(2)14-19(13-16)24-21(27)15-30-23(29)9-8-22(28)26-11-10-20(25-26)18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27)