2-bromanyl-3-[heptyl(methyl)amino]-1-oxidanyl-9-(trifluoromethyl)benzo[c]chromen-6-one

Systemtic Name: 2-bromanyl-3-[heptyl(methyl)amino]-1-oxidanyl-9-(trifluoromethyl)benzo[c]chromen-6-one Openeye Name: 2-bromo-3-[heptyl(methyl)amino]-1-hydroxy-9-(trifluoromethyl)benzo[c]chromen-6-one CAS Name: 2-bromo-3-[heptyl(methyl)amino]-1-hydroxy-9-(trifluoromethyl)-6-benzo[c][1]benzopyranone IUPAC Name: 2-bromo-3-[heptyl(methyl)amino]-1-hydroxy-9-(trifluoromethyl)benzo[c]chromen-6-one Traditional Name: 2-bromo-3-[heptyl(methyl)amino]-1-hydroxy-9-(trifluoromethyl)benzo[c]chromen-6-one Formula: C22H23BrF3NO3 MolecularWeight: 486.32213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C)C1=CC2=C(C3=C(C=CC(=C3)C(F)(F)F)C(=O)O2)C(=C1Br)O

Isomeric SMILES

CCCCCCCN(C)C1=CC2=C(C3=C(C=CC(=C3)C(F)(F)F)C(=O)O2)C(=C1Br)O

InChI

InChI=1S/C22H23BrF3NO3/c1-3-4-5-6-7-10-27(2)16-12-17-18(20(28)19(16)23)15-11-13(22(24,25)26)8-9-14(15)21(29)30-17/h8-9,11-12,28H,3-7,10H2,1-2H3