7,8-dimethyl-4-[(4-propanoylphenoxy)methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(4-propanoylphenoxy)methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(4-propanoylphenoxy)methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(1-oxopropyl)phenoxy]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(4-propanoylphenoxy)methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[(4-propionylphenoxy)methyl]coumarin Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C21H20O4/c1-4-19(22)15-6-8-17(9-7-15)24-12-16-11-20(23)25-21-14(3)13(2)5-10-18(16)21/h5-11H,4,12H2,1-3H3