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

Systemtic Name: 7-[(4-bromophenyl)methoxy]-4-butyl-8-methyl-chromen-2-one Openeye Name: 7-[(4-bromophenyl)methoxy]-4-butyl-8-methyl-chromen-2-one CAS Name: 7-[(4-bromophenyl)methoxy]-4-butyl-8-methyl-1-benzopyran-2-one IUPAC Name: 7-[(4-bromophenyl)methoxy]-4-butyl-8-methylchromen-2-one Traditional Name: 7-(4-bromobenzyl)oxy-4-butyl-8-methyl-coumarin Formula: C21H21BrO3 MolecularWeight: 401.29364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO3/c1-3-4-5-16-12-20(23)25-21-14(2)19(11-10-18(16)21)24-13-15-6-8-17(22)9-7-15/h6-12H,3-5,13H2,1-2H3