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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-3-phenylbutanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl (3S)-3-phenylbutanoate CAS Name: (3S)-3-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 (3S)-3-phenylbutanoate Traditional Name: (3S)-3-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)CC(C)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22O5/c1-3-15-10-18-17(11-22(25)27-20(18)12-19(15)23)13-26-21(24)9-14(2)16-7-5-4-6-8-16/h4-8,10-12,14,23H,3,9,13H2,1-2H3/t14-/m0/s1