methyl 4-methyl-3-[[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzoate

Systemtic Name: methyl 4-methyl-3-[[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzoate CAS Name: 3-[[1,4-dioxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzoate Traditional Name: 3-[[4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-15-8-9-17(22(28)29-2)14-19(15)23-20(26)10-11-21(27)25-13-12-18(24-25)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,23,26)