(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H17FO4 MolecularWeight: 352.355683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H17FO4/c1-13-8-18-16(11-21(24)26-19(18)9-14(13)2)12-25-20(23)7-6-15-4-3-5-17(22)10-15/h3-11H,12H2,1-2H3/b7-6+