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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-oxidanylidene-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methyl]-3-oxo-N-(tetrahydrofuran-2-ylmethyl)isoindoline-1-carboxamide CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl]-3-oxo-N-(2-oxolanylmethyl)-1H-isoindole-1-carboxamide IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide Traditional Name: 2-(5-bromo-2-methoxy-benzyl)-3-keto-N-(tetrahydrofurfuryl)isoindoline-1-carboxamide Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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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)NCC4CCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4CCCO4

InChI

InChI=1S/C22H23BrN2O4/c1-28-19-9-8-15(23)11-14(19)13-25-20(17-6-2-3-7-18(17)22(25)27)21(26)24-12-16-5-4-10-29-16/h2-3,6-9,11,16,20H,4-5,10,12-13H2,1H3,(H,24,26)