3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid

Systemtic Name: 3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid Openeye Name: 3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid CAS Name: 3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid IUPAC Name: 3-(4-butoxyphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid Traditional Name: 5-(4-butoxyphenyl)-1-(2,4-dichlorophenyl)-2-pyrazoline-3-carboxylic acid Formula: C20H20Cl2N2O3 MolecularWeight: 407.2904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H20Cl2N2O3/c1-2-3-10-27-15-7-4-13(5-8-15)19-12-17(20(25)26)23-24(19)18-9-6-14(21)11-16(18)22/h4-9,11,19H,2-3,10,12H2,1H3,(H,25,26)