2-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-cyclooctyl-3-oxidanylidene-1H-isoindole-1-carboxamide

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-cyclooctyl-3-oxidanylidene-1H-isoindole-1-carboxamide Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methyl]-N-cyclooctyl-3-oxo-isoindoline-1-carboxamide CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl]-N-cyclooctyl-3-oxo-1H-isoindole-1-carboxamide IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methyl]-N-cyclooctyl-3-oxo-1H-isoindole-1-carboxamide Traditional Name: 2-(5-bromo-2-methoxy-benzyl)-N-cyclooctyl-3-keto-isoindoline-1-carboxamide Formula: C25H29BrN2O3 MolecularWeight: 485.41336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2C(C3=CC=CC=C3C2=O)C(=O)NC4CCCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2C(C3=CC=CC=C3C2=O)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C25H29BrN2O3/c1-31-22-14-13-18(26)15-17(22)16-28-23(20-11-7-8-12-21(20)25(28)30)24(29)27-19-9-5-3-2-4-6-10-19/h7-8,11-15,19,23H,2-6,9-10,16H2,1H3,(H,27,29)