3-(4-methoxycarbonylphenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-methoxycarbonylphenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-methoxycarbonylphenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-methoxycarbonylphenyl)-1-phenyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-methoxycarbonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(4-carbomethoxyphenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-3-7-17-18(20(24)25)19(22-23(17)16-8-5-4-6-9-16)14-10-12-15(13-11-14)21(26)27-2/h4-6,8-13H,3,7H2,1-2H3,(H,24,25)