4-butyl-7-methyl-5-phenacyloxy-chromen-2-one

Systemtic Name: 4-butyl-7-methyl-5-phenacyloxy-chromen-2-one Openeye Name: 4-butyl-7-methyl-5-phenacyloxy-chromen-2-one CAS Name: 4-butyl-7-methyl-5-phenacyloxy-1-benzopyran-2-one IUPAC Name: 4-butyl-7-methyl-5-phenacyloxychromen-2-one Traditional Name: 4-butyl-7-methyl-5-phenacyloxy-coumarin Formula: C22H22O4 MolecularWeight: 350.40768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=CC=CC=C3

InChI

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