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

Systemtic Name: ethyl (E)-3-(8-chloranyl-7-ethoxy-2,2-dimethyl-4-propan-2-yl-chromen-6-yl)-2-fluoranyl-but-2-enoate Openeye Name: ethyl (E)-3-(8-chloro-7-ethoxy-4-isopropyl-2,2-dimethyl-chromen-6-yl)-2-fluoro-but-2-enoate CAS Name: (E)-3-(8-chloro-7-ethoxy-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-ethoxy-2,2-dimethyl-4-propan-2-ylchromen-6-yl)-2-fluorobut-2-enoate Traditional Name: (E)-3-(8-chloro-7-ethoxy-4-isopropyl-2,2-dimethyl-chromen-6-yl)-2-fluoro-but-2-enoic acid ethyl ester Formula: C22H28ClFO4 MolecularWeight: 410.906723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=CC(OC2=C1Cl)(C)C)C(C)C)C(=C(C(=O)OCC)F)C

Isomeric SMILES

CCOC1=C(C=C2C(=CC(OC2=C1Cl)(C)C)C(C)C)/C(=C(\C(=O)OCC)/F)/C

InChI

InChI=1S/C22H28ClFO4/c1-8-26-19-14(13(5)18(24)21(25)27-9-2)10-15-16(12(3)4)11-22(6,7)28-20(15)17(19)23/h10-12H,8-9H2,1-7H3/b18-13+