[2-(4-methylphenyl)-2-oxidanylidene-ethyl] (3R)-3-(3,5-dimethylpyrazol-1-yl)butanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (3R)-3-(3,5-dimethylpyrazol-1-yl)butanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] (3R)-3-(3,5-dimethylpyrazol-1-yl)butanoate CAS Name: (3R)-3-(3,5-dimethyl-1-pyrazolyl)butanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] (3R)-3-(3,5-dimethylpyrazol-1-yl)butanoate Traditional Name: (3R)-3-(3,5-dimethylpyrazol-1-yl)butyric acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)CC(C)N2C(=CC(=N2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C[C@@H](C)N2C(=CC(=N2)C)C

InChI

InChI=1S/C18H22N2O3/c1-12-5-7-16(8-6-12)17(21)11-23-18(22)10-15(4)20-14(3)9-13(2)19-20/h5-9,15H,10-11H2,1-4H3/t15-/m1/s1