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

Systemtic Name: 4-butyl-7-[(3-chlorophenyl)methoxy]-8-methyl-chromen-2-one Openeye Name: 4-butyl-7-[(3-chlorophenyl)methoxy]-8-methyl-chromen-2-one CAS Name: 4-butyl-7-[(3-chlorophenyl)methoxy]-8-methyl-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[(3-chlorophenyl)methoxy]-8-methylchromen-2-one Traditional Name: 4-butyl-7-(3-chlorobenzyl)oxy-8-methyl-coumarin Formula: C21H21ClO3 MolecularWeight: 356.84264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClO3/c1-3-4-7-16-12-20(23)25-21-14(2)19(10-9-18(16)21)24-13-15-6-5-8-17(22)11-15/h5-6,8-12H,3-4,7,13H2,1-2H3