4,7-dimethyl-5-(3-oxidanylidenebutan-2-yloxy)-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4,7-dimethyl-5-(3-oxidanylidenebutan-2-yloxy)-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4,7-dimethyl-5-(1-methyl-2-oxo-propoxy)chromen-2-one CAS Name: 4,7-dimethyl-5-(3-oxobutan-2-yloxy)-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,7-dimethyl-5-(3-oxobutan-2-yloxy)chromen-2-one Traditional Name: 3-benzyl-5-(2-keto-1-methyl-propoxy)-4,7-dimethyl-coumarin Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(C)C(=O)C

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(C)C(=O)C

InChI

InChI=1S/C22H22O4/c1-13-10-19(25-16(4)15(3)23)21-14(2)18(22(24)26-20(21)11-13)12-17-8-6-5-7-9-17/h5-11,16H,12H2,1-4H3