3-[3-(4-Ethyl-2,2,7-trimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-4-trifluoromethoxy-phenyl]-acrylic acid tert-butyl ester

HCID 68583258

Basic information

Standard SMILES: CCN1C(=O)C(C)(C)Oc2cc(C)c(-c3cc(C=CC(=O)OC(C)(C)C)ccc3OC(F)(F)F)cc21
InChIKey: SXSNRWGVMFNZCE-UHFFFAOYSA-N
Molecular formula: C27H30F3NO5
Average molar mass: 505.5 g/mol

Preferred name: 3-[3-(4-Ethyl-2,2,7-trimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-4-trifluoromethoxy-phenyl]-acrylic acid tert-butyl ester
IUPAC: tert-butyl 3-[3-(4-ethyl-2,2,7-trimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-(trifluoromethoxy)phenyl]prop-2-enoate

3-[3-(4-Ethyl-2,2,7-trimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-4-trifluoromethoxy-phenyl]-acrylic acid tert-butyl esterSCHEMBL3290364

6 records

HRID 121343As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 663562As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 960511As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2239241As productuspto-grants-2010_05

HRID 2239242As reactantuspto-grants-2010_05

HRID 2239245As reactantuspto-grants-2010_05

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Standard SMILES: CCN1C(=O)C(C)(C)Oc2cc(C)c(-c3cc(C=CC(=O)OC(C)(C)C)ccc3OC(F)(F)F)cc21
InChIKey: SXSNRWGVMFNZCE-UHFFFAOYSA-N
Molecular formula: C27H30F3NO5
Average molar mass: 505.5 g/mol

Preferred name: 3-[3-(4-Ethyl-2,2,7-trimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-4-trifluoromethoxy-phenyl]-acrylic acid tert-butyl ester
IUPAC: tert-butyl 3-[3-(4-ethyl-2,2,7-trimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-(trifluoromethoxy)phenyl]prop-2-enoate