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

Systemtic Name: 5-bromanyl-1-[(4-butoxy-3-methoxy-phenyl)methyl]-7-methyl-indole-2,3-dione Openeye Name: 5-bromo-1-[(4-butoxy-3-methoxy-phenyl)methyl]-7-methyl-indoline-2,3-dione CAS Name: 5-bromo-1-[(4-butoxy-3-methoxyphenyl)methyl]-7-methylindole-2,3-dione IUPAC Name: 5-bromo-1-[(4-butoxy-3-methoxyphenyl)methyl]-7-methylindole-2,3-dione Traditional Name: 5-bromo-1-(4-butoxy-3-methoxy-benzyl)-7-methyl-isatin Formula: C21H22BrNO4 MolecularWeight: 432.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CN2C3=C(C=C(C=C3C(=O)C2=O)Br)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CN2C3=C(C=C(C=C3C(=O)C2=O)Br)C)OC

InChI

InChI=1S/C21H22BrNO4/c1-4-5-8-27-17-7-6-14(10-18(17)26-3)12-23-19-13(2)9-15(22)11-16(19)20(24)21(23)25/h6-7,9-11H,4-5,8,12H2,1-3H3