5,7-bis(bromanyl)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]indole-2,3-dione

Systemtic Name: 5,7-bis(bromanyl)-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]indole-2,3-dione Openeye Name: 5,7-dibromo-1-[(4-isopentyloxy-3-methoxy-phenyl)methyl]indoline-2,3-dione CAS Name: 5,7-dibromo-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]indole-2,3-dione IUPAC Name: 5,7-dibromo-1-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]indole-2,3-dione Traditional Name: 5,7-dibromo-1-(4-isoamoxy-3-methoxy-benzyl)isatin Formula: C21H21Br2NO4 MolecularWeight: 511.20374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)CN2C3=C(C=C(C=C3C(=O)C2=O)Br)Br)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)CN2C3=C(C=C(C=C3C(=O)C2=O)Br)Br)OC

InChI

InChI=1S/C21H21Br2NO4/c1-12(2)6-7-28-17-5-4-13(8-18(17)27-3)11-24-19-15(20(25)21(24)26)9-14(22)10-16(19)23/h4-5,8-10,12H,6-7,11H2,1-3H3