(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2R)-2-phenylbutanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2R)-2-phenylbutanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(CC)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](CC)C3=CC=CC=C3)O

InChI

InChI=1S/C22H22O5/c1-3-14-10-18-16(11-21(24)27-20(18)12-19(14)23)13-26-22(25)17(4-2)15-8-6-5-7-9-15/h5-12,17,23H,3-4,13H2,1-2H3/t17-/m1/s1