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

Systemtic Name: 3-butyl-4-methyl-7-phenacyloxy-chromen-2-one Openeye Name: 3-butyl-4-methyl-7-phenacyloxy-chromen-2-one CAS Name: 3-butyl-4-methyl-7-phenacyloxy-1-benzopyran-2-one IUPAC Name: 3-butyl-4-methyl-7-phenacyloxychromen-2-one Traditional Name: 3-butyl-4-methyl-7-phenacyloxy-coumarin Formula: C22H22O4 MolecularWeight: 350.40768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C(C=C2)OCC(=O)C3=CC=CC=C3)OC1=O)C

Isomeric SMILES

CCCCC1=C(C2=C(C=C(C=C2)OCC(=O)C3=CC=CC=C3)OC1=O)C

InChI

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