(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-3-phenylbutanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-3-phenylbutanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C[C@H](C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22O4/c1-14-9-19-18(12-22(24)26-20(19)10-15(14)2)13-25-21(23)11-16(3)17-7-5-4-6-8-17/h4-10,12,16H,11,13H2,1-3H3/t16-/m0/s1