[(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OC3CCOC3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)O[C@H]3CCOC3=O

InChI

InChI=1S/C18H18N2O4/c1-12-15(8-9-17(21)24-16-10-11-23-18(16)22)13(2)20(19-12)14-6-4-3-5-7-14/h3-9,16H,10-11H2,1-2H3/b9-8+/t16-/m0/s1