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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-3-phenylbutanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CC(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C[C@H](C)C3=CC=CC=C3)C

InChI

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