methyl 4-[4-(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)-4-oxidanylidene-butanoyl]benzoate

Systemtic Name: methyl 4-[4-(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)-4-oxidanylidene-butanoyl]benzoate Openeye Name: methyl 4-[4-(1-tert-butyl-5-isopropyl-pyrazol-3-yl)-4-oxo-butanoyl]benzoate CAS Name: 4-[4-(1-tert-butyl-5-propan-2-yl-3-pyrazolyl)-1,4-dioxobutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-4-oxobutanoyl]benzoate Traditional Name: 4-[4-(1-tert-butyl-5-isopropyl-pyrazol-3-yl)-4-keto-butanoyl]benzoic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)CCC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)CCC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H28N2O4/c1-14(2)18-13-17(23-24(18)22(3,4)5)20(26)12-11-19(25)15-7-9-16(10-8-15)21(27)28-6/h7-10,13-14H,11-12H2,1-6H3