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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-methyl-butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21ClO4 MolecularWeight: 384.85274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C3=CC=C(C=C3)Cl)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C3=CC=C(C=C3)Cl)C(C)C

InChI

InChI=1S/C22H21ClO4/c1-13(2)21(15-5-7-17(23)8-6-15)22(25)26-12-16-11-20(24)27-19-10-14(3)4-9-18(16)19/h4-11,13,21H,12H2,1-3H3/t21-/m0/s1