(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-chloranyl-4-fluoranyl-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H18ClFO4 MolecularWeight: 388.816623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFO4/c1-11(2)16-9-17-13(7-20(24)27-19(17)6-12(16)3)10-26-21(25)15-5-4-14(23)8-18(15)22/h4-9,11H,10H2,1-3H3