methyl 2-[(4E)-4-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4E)-4-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4E)-4-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methylene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4E)-4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4E)-4-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzylidene]-5-keto-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC)O

InChI

InChI=1S/C24H22N2O4/c1-24(2,29)14-13-17-9-11-18(12-10-17)15-20-21(16-22(27)30-3)25-26(23(20)28)19-7-5-4-6-8-19/h4-12,15,29H,16H2,1-3H3/b20-15+