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

Systemtic Name: 5-butoxy-4,7-dimethyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-5-butoxy-4,7-dimethyl-chromen-2-one CAS Name: 5-butoxy-4,7-dimethyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-5-butoxy-4,7-dimethylchromen-2-one Traditional Name: 3-benzyl-5-butoxy-4,7-dimethyl-coumarin Formula: C22H24O3 MolecularWeight: 336.42416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCCCOC1=CC(=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

InChI

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