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

Systemtic Name: 7-butoxy-4,8-dimethyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-butoxy-4,8-dimethyl-chromen-2-one CAS Name: 7-butoxy-4,8-dimethyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-butoxy-4,8-dimethylchromen-2-one Traditional Name: 3-benzyl-7-butoxy-4,8-dimethyl-coumarin Formula: C22H24O3 MolecularWeight: 336.42416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H24O3/c1-4-5-13-24-20-12-11-18-15(2)19(14-17-9-7-6-8-10-17)22(23)25-21(18)16(20)3/h6-12H,4-5,13-14H2,1-3H3