[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O3/c1-15(21(26)17-8-10-18(22)11-9-17)27-20(25)12-7-16-13-23-24(14-16)19-5-3-2-4-6-19/h2-6,8-11,13-15H,7,12H2,1H3