ethyl (E)-2-fluoranyl-3-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)but-2-enoate

Systemtic Name: ethyl (E)-2-fluoranyl-3-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)but-2-enoate Openeye Name: ethyl (E)-2-fluoro-3-(4-isopropyl-2,3-dihydro-1,4-benzoxazin-7-yl)but-2-enoate CAS Name: (E)-2-fluoro-3-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-fluoro-3-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)but-2-enoate Traditional Name: (E)-2-fluoro-3-(4-isopropyl-2,3-dihydro-1,4-benzoxazin-7-yl)but-2-enoic acid ethyl ester Formula: C17H22FNO3 MolecularWeight: 307.359883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)C1=CC2=C(C=C1)N(CCO2)C(C)C)F

Isomeric SMILES

CCOC(=O)/C(=C(/C)\C1=CC2=C(C=C1)N(CCO2)C(C)C)/F

InChI

InChI=1S/C17H22FNO3/c1-5-21-17(20)16(18)12(4)13-6-7-14-15(10-13)22-9-8-19(14)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3/b16-12+