4-butyl-8-methyl-7-[(3-methylphenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-8-methyl-7-[(3-methylphenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-8-methyl-7-(m-tolylmethoxy)chromen-2-one CAS Name: 4-butyl-8-methyl-7-[(3-methylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-8-methyl-7-[(3-methylphenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-8-methyl-7-(3-methylbenzyl)oxy-coumarin Formula: C22H24O3 MolecularWeight: 336.42416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=CC=CC(=C3)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=CC=CC(=C3)C

InChI

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