7-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-methyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-(3,3-dimethyl-2-oxo-butoxy)-4-methyl-chromen-2-one CAS Name: 7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-(3,3-dimethyl-2-oxobutoxy)-4-methylchromen-2-one Traditional Name: 3-benzyl-7-(2-keto-3,3-dimethyl-butoxy)-4-methyl-coumarin Formula: C23H24O4 MolecularWeight: 364.43426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24O4/c1-15-18-11-10-17(26-14-21(24)23(2,3)4)13-20(18)27-22(25)19(15)12-16-8-6-5-7-9-16/h5-11,13H,12,14H2,1-4H3