5-bromanyl-1-[[4-(3-methylbutoxy)phenyl]methyl]indole-2,3-dione

Systemtic Name: 5-bromanyl-1-[[4-(3-methylbutoxy)phenyl]methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[(4-isopentyloxyphenyl)methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[4-(3-methylbutoxy)phenyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[[4-(3-methylbutoxy)phenyl]methyl]indole-2,3-dione Traditional Name: 5-bromo-1-(4-isoamoxybenzyl)isatin Formula: C20H20BrNO3 MolecularWeight: 402.2817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

InChI

InChI=1S/C20H20BrNO3/c1-13(2)9-10-25-16-6-3-14(4-7-16)12-22-18-8-5-15(21)11-17(18)19(23)20(22)24/h3-8,11,13H,9-10,12H2,1-2H3