3-(4-methoxycarbonylphenyl)-2-[[1-(4-methylphenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]prop-2-enoic acid

Systemtic Name: 3-(4-methoxycarbonylphenyl)-2-[[1-(4-methylphenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Openeye Name: 3-(4-methoxycarbonylphenyl)-2-[[5-oxo-3-propyl-1-(p-tolyl)-4H-pyrazol-4-yl]methyl]prop-2-enoic acid CAS Name: 3-(4-methoxycarbonylphenyl)-2-[[1-(4-methylphenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-2-propenoic acid IUPAC Name: 3-(4-methoxycarbonylphenyl)-2-[[1-(4-methylphenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Traditional Name: 3-(4-carbomethoxyphenyl)-2-[[5-keto-3-propyl-1-(p-tolyl)-2-pyrazolin-4-yl]methyl]acrylic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H26N2O5/c1-4-5-22-21(23(28)27(26-22)20-12-6-16(2)7-13-20)15-19(24(29)30)14-17-8-10-18(11-9-17)25(31)32-3/h6-14,21H,4-5,15H2,1-3H3,(H,29,30)