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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-methyl-butyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H23ClO4 MolecularWeight: 398.87932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C2C(=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)22(16-5-7-18(24)8-6-16)23(26)27-12-17-11-21(25)28-20-10-15(4)14(3)9-19(17)20/h5-11,13,22H,12H2,1-4H3/t22-/m0/s1