4-methyl-7-(3-oxidanylidenebutan-2-yloxy)-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4-methyl-7-(3-oxidanylidenebutan-2-yloxy)-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4-methyl-7-(1-methyl-2-oxo-propoxy)chromen-2-one CAS Name: 4-methyl-7-(3-oxobutan-2-yloxy)-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-methyl-7-(3-oxobutan-2-yloxy)chromen-2-one Traditional Name: 3-benzyl-7-(2-keto-1-methyl-propoxy)-4-methyl-coumarin Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H20O4/c1-13-18-10-9-17(24-15(3)14(2)22)12-20(18)25-21(23)19(13)11-16-7-5-4-6-8-16/h4-10,12,15H,11H2,1-3H3