[(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O4/c20-16(23-15-8-9-22-17(15)21)7-6-14-10-18-19(12-14)11-13-4-2-1-3-5-13/h1-7,10,12,15H,8-9,11H2/b7-6+/t15-/m0/s1