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

Systemtic Name: 2-[2-[(3-bromophenyl)-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)methyl]-1H-indol-3-yl]ethyl 3,3-dimethylbutanoate Openeye Name: 2-[2-[(3-bromophenyl)-(2-hydroxy-1-methyl-4-oxo-3-quinolyl)methyl]-1H-indol-3-yl]ethyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic 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 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid 2-[2-[(3-bromophenyl)-(2-hydroxy-4-keto-1-methyl-3-quinolyl)methyl]-1H-indol-3-yl]ethyl ester Formula: C33H33BrN2O4 MolecularWeight: 601.53012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)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(C)(C)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/C33H33BrN2O4/c1-33(2,3)19-27(37)40-17-16-23-22-12-5-7-14-25(22)35-30(23)28(20-10-9-11-21(34)18-20)29-31(38)24-13-6-8-15-26(24)36(4)32(29)39/h5-15,18,28,35,39H,16-17,19H2,1-4H3