ethyl 5-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(2,4-dichlorophenoxy)butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2,4-dichlorophenoxy)butanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[4-(2,4-dichlorophenoxy)butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H21Cl2N3O4 MolecularWeight: 462.32584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O4/c1-2-30-22(29)17-14-25-27(16-7-4-3-5-8-16)21(17)26-20(28)9-6-12-31-19-11-10-15(23)13-18(19)24/h3-5,7-8,10-11,13-14H,2,6,9,12H2,1H3,(H,26,28)