[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=C(N(N=C2C)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=C(N(N=C2C)C)C)C

InChI

InChI=1S/C19H24N2O3/c1-12-6-7-16(10-13(12)2)18(22)11-24-19(23)9-8-17-14(3)20-21(5)15(17)4/h6-7,10H,8-9,11H2,1-5H3