7-[(4-bromophenyl)methoxy]-4,8-dimethyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 7-[(4-bromophenyl)methoxy]-4,8-dimethyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-[(4-bromophenyl)methoxy]-4,8-dimethyl-chromen-2-one CAS Name: 7-[(4-bromophenyl)methoxy]-4,8-dimethyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-[(4-bromophenyl)methoxy]-4,8-dimethylchromen-2-one Traditional Name: 3-benzyl-7-(4-bromobenzyl)oxy-4,8-dimethyl-coumarin Formula: C25H21BrO3 MolecularWeight: 449.33644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C25H21BrO3/c1-16-21-12-13-23(28-15-19-8-10-20(26)11-9-19)17(2)24(21)29-25(27)22(16)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3