2-[2-[(3-bromophenyl)-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)methyl]-1H-indol-3-yl]ethyl ethanoate

Systemtic Name: 2-[2-[(3-bromophenyl)-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)methyl]-1H-indol-3-yl]ethyl ethanoate Openeye Name: 2-[2-[(3-bromophenyl)-(2-hydroxy-1-methyl-4-oxo-3-quinolyl)methyl]-1H-indol-3-yl]ethyl acetate CAS Name: acetic acid 2-[2-[(3-bromophenyl)-(2-hydroxy-1-methyl-4-oxo-3-quinolinyl)methyl]-1H-indol-3-yl]ethyl ester IUPAC Name: 2-[2-[(3-bromophenyl)-(2-hydroxy-1-methyl-4-oxoquinolin-3-yl)methyl]-1H-indol-3-yl]ethyl acetate Traditional Name: acetic acid 2-[2-[(3-bromophenyl)-(2-hydroxy-4-keto-1-methyl-3-quinolyl)methyl]-1H-indol-3-yl]ethyl ester Formula: C29H25BrN2O4 MolecularWeight: 545.4238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=C(NC2=CC=CC=C21)C(C3=CC(=CC=C3)Br)C4=C(N(C5=CC=CC=C5C4=O)C)O

Isomeric SMILES

CC(=O)OCCC1=C(NC2=CC=CC=C21)C(C3=CC(=CC=C3)Br)C4=C(N(C5=CC=CC=C5C4=O)C)O

InChI

InChI=1S/C29H25BrN2O4/c1-17(33)36-15-14-21-20-10-3-5-12-23(20)31-27(21)25(18-8-7-9-19(30)16-18)26-28(34)22-11-4-6-13-24(22)32(2)29(26)35/h3-13,16,25,31,35H,14-15H2,1-2H3