[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate CAS Name: (3S)-3-(3,5-dimethyl-1-pyrazolyl)butanoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate Traditional Name: (3S)-3-(3,5-dimethylpyrazol-1-yl)butyric acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)CC(=O)OCC(=O)C2=CC(=CC=C2)OC)C

Isomeric SMILES

CC1=CC(=NN1[C@@H](C)CC(=O)OCC(=O)C2=CC(=CC=C2)OC)C

InChI

InChI=1S/C18H22N2O4/c1-12-8-13(2)20(19-12)14(3)9-18(22)24-11-17(21)15-6-5-7-16(10-15)23-4/h5-8,10,14H,9,11H2,1-4H3/t14-/m0/s1