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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H21ClO5 MolecularWeight: 400.85214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C22H21ClO5/c1-13(2)21(14-4-6-16(23)7-5-14)22(25)27-12-15-10-20(24)28-19-11-17(26-3)8-9-18(15)19/h4-11,13,21H,12H2,1-3H3/t21-/m1/s1