(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-fluoranylphenoxy)propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-fluoranylphenoxy)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate CAS Name: (2S)-2-(4-fluorophenoxy)propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate Traditional Name: (2S)-2-(4-fluorophenoxy)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H16ClFO5 MolecularWeight: 390.789443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C)OC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)[C@H](C)OC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C20H16ClFO5/c1-11-7-18-16(9-17(11)21)13(8-19(23)27-18)10-25-20(24)12(2)26-15-5-3-14(22)4-6-15/h3-9,12H,10H2,1-2H3/t12-/m0/s1