(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-methylbutanoic 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-chlorophenyl)-3-methylbutanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-methyl-butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H20Cl2O4 MolecularWeight: 419.2978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2O4/c1-12(2)21(14-4-6-16(23)7-5-14)22(26)27-11-15-9-20(25)28-19-8-13(3)18(24)10-17(15)19/h4-10,12,21H,11H2,1-3H3/t21-/m0/s1