(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-methyl-butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C23H23ClO4 MolecularWeight: 398.87932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C3=CC=C(C=C3)Cl)C(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C3=CC=C(C=C3)Cl)C(C)C)C

InChI

InChI=1S/C23H23ClO4/c1-13(2)21(16-6-8-18(24)9-7-16)23(26)27-12-17-11-20(25)28-22-15(4)14(3)5-10-19(17)22/h5-11,13,21H,12H2,1-4H3/t21-/m0/s1