ethyl 5-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-chloro-2-methylphenoxy)propanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O4/c1-4-29-22(28)18-13-24-26(17-8-6-5-7-9-17)20(18)25-21(27)15(3)30-19-11-10-16(23)12-14(19)2/h5-13,15H,4H2,1-3H3,(H,25,27)