[(3S)-2-oxidanylideneoxolan-3-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC3CCOC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)O[C@H]3CCOC3=O)C

InChI

InChI=1S/C18H20N2O4/c1-11-4-6-14(7-5-11)10-20-13(3)16(12(2)19-20)18(22)24-15-8-9-23-17(15)21/h4-7,15H,8-10H2,1-3H3/t15-/m0/s1