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

Systemtic Name: 2-[[1-(4-chlorophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-chlorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-chlorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid Traditional Name: 3-(4-carbomethoxyphenyl)-2-[[1-(4-chlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-yl]methyl]acrylic acid Formula: C24H23ClN2O5 MolecularWeight: 454.90282

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN2O5/c1-3-4-21-20(22(28)27(26-21)19-11-9-18(25)10-12-19)14-17(23(29)30)13-15-5-7-16(8-6-15)24(31)32-2/h5-13,20H,3-4,14H2,1-2H3,(H,29,30)