5-butoxy-4-(4-methoxyphenyl)-7-methyl-chromen-2-one

Systemtic Name: 5-butoxy-4-(4-methoxyphenyl)-7-methyl-chromen-2-one Openeye Name: 5-butoxy-4-(4-methoxyphenyl)-7-methyl-chromen-2-one CAS Name: 5-butoxy-4-(4-methoxyphenyl)-7-methyl-1-benzopyran-2-one IUPAC Name: 5-butoxy-4-(4-methoxyphenyl)-7-methylchromen-2-one Traditional Name: 5-butoxy-4-(4-methoxyphenyl)-7-methyl-coumarin Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O4/c1-4-5-10-24-18-11-14(2)12-19-21(18)17(13-20(22)25-19)15-6-8-16(23-3)9-7-15/h6-9,11-13H,4-5,10H2,1-3H3