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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-3-phenylbutanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC(C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H22O4/c1-3-16-9-10-19-18(13-22(24)26-20(19)12-16)14-25-21(23)11-15(2)17-7-5-4-6-8-17/h4-10,12-13,15H,3,11,14H2,1-2H3/t15-/m0/s1