4-[[2-(4-bromanylphenoxy)ethyl-methyl-amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[2-(4-bromanylphenoxy)ethyl-methyl-amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[2-(4-bromophenoxy)ethyl-methyl-amino]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[2-(4-bromophenoxy)ethyl-methyl-amino]methyl]-7-hydroxy-8-methyl-coumarin Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN(C)CCOC3=CC=C(C=C3)Br)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN(C)CCOC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H20BrNO4/c1-13-18(23)8-7-17-14(11-19(24)26-20(13)17)12-22(2)9-10-25-16-5-3-15(21)4-6-16/h3-8,11,23H,9-10,12H2,1-2H3