ethyl (E)-3-(8-chloranyl-7-methoxy-2,2-dimethyl-4-propan-2-yl-chromen-6-yl)-2-fluoranyl-but-2-enoate

Systemtic Name: ethyl (E)-3-(8-chloranyl-7-methoxy-2,2-dimethyl-4-propan-2-yl-chromen-6-yl)-2-fluoranyl-but-2-enoate Openeye Name: ethyl (E)-3-(8-chloro-4-isopropyl-7-methoxy-2,2-dimethyl-chromen-6-yl)-2-fluoro-but-2-enoate CAS Name: (E)-3-(8-chloro-7-methoxy-2,2-dimethyl-4-propan-2-yl-1-benzopyran-6-yl)-2-fluoro-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(8-chloro-7-methoxy-2,2-dimethyl-4-propan-2-ylchromen-6-yl)-2-fluorobut-2-enoate Traditional Name: (E)-3-(8-chloro-4-isopropyl-7-methoxy-2,2-dimethyl-chromen-6-yl)-2-fluoro-but-2-enoic acid ethyl ester Formula: C21H26ClFO4 MolecularWeight: 396.880143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)C1=C(C(=C2C(=C1)C(=CC(O2)(C)C)C(C)C)Cl)OC)F

Isomeric SMILES

CCOC(=O)/C(=C(/C)\C1=C(C(=C2C(=C1)C(=CC(O2)(C)C)C(C)C)Cl)OC)/F

InChI

InChI=1S/C21H26ClFO4/c1-8-26-20(24)17(23)12(4)13-9-14-15(11(2)3)10-21(5,6)27-19(14)16(22)18(13)25-7/h9-11H,8H2,1-7H3/b17-12+