7-ethyl-4-[(4-propanoylphenoxy)methyl]chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC3=CC=C(C=C3)C(=O)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC3=CC=C(C=C3)C(=O)CC

InChI

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