4,8-dimethyl-7-(3-oxidanylidenebutan-2-yloxy)-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4,8-dimethyl-7-(3-oxidanylidenebutan-2-yloxy)-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4,8-dimethyl-7-(1-methyl-2-oxo-propoxy)chromen-2-one CAS Name: 4,8-dimethyl-7-(3-oxobutan-2-yloxy)-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one Traditional Name: 3-benzyl-7-(2-keto-1-methyl-propoxy)-4,8-dimethyl-coumarin Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)C)CC3=CC=CC=C3

InChI

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