(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-3-phenylbutanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-3-phenylbutanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CC(C)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C[C@H](C)C3=CC=CC=C3)O

InChI

InChI=1S/C21H20O5/c1-13(15-6-4-3-5-7-15)10-19(23)25-12-16-11-20(24)26-21-14(2)18(22)9-8-17(16)21/h3-9,11,13,22H,10,12H2,1-2H3/t13-/m0/s1