4-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[(5-bromo-2-methoxy-benzyl)-methyl-amino]methyl]-7-ethyl-coumarin Formula: C21H22BrNO3 MolecularWeight: 416.30828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H22BrNO3/c1-4-14-5-7-18-15(11-21(24)26-20(18)9-14)12-23(2)13-16-10-17(22)6-8-19(16)25-3/h5-11H,4,12-13H2,1-3H3