4-butyl-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one CAS Name: 4-butyl-7-[(2,5-dimethylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-7-(2,5-dimethylbenzyl)oxy-coumarin Formula: C22H24O3 MolecularWeight: 336.42416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H24O3/c1-4-5-6-17-12-22(23)25-21-13-19(9-10-20(17)21)24-14-18-11-15(2)7-8-16(18)3/h7-13H,4-6,14H2,1-3H3