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

Systemtic Name: 4-butyl-7-[(3-methylphenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-7-(m-tolylmethoxy)chromen-2-one CAS Name: 4-butyl-7-[(3-methylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[(3-methylphenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-7-(3-methylbenzyl)oxy-coumarin Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O3/c1-3-4-8-17-12-21(22)24-20-13-18(9-10-19(17)20)23-14-16-7-5-6-15(2)11-16/h5-7,9-13H,3-4,8,14H2,1-2H3