2-[(2-bromanyl-1-benzofuran-3-yl)methyl]-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate

Systemtic Name: 2-[(2-bromanyl-1-benzofuran-3-yl)methyl]-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate Openeye Name: 2-[(2-bromobenzofuran-3-yl)methyl]isoindolin-1-one; O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate CAS Name: 2-[(2-bromo-3-benzofuranyl)methyl]-3H-isoindol-1-one; (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester IUPAC Name: 2-[(2-bromo-1-benzofuran-3-yl)methyl]-3H-isoindol-1-one; 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate Traditional Name: 2-[(2-bromobenzofuran-3-yl)methyl]isoindolin-1-one; (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester Formula: C27H27BrN2O6 MolecularWeight: 555.41708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CC3=C(OC4=CC=CC=C43)Br

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CC3=C(OC4=CC=CC=C43)Br

InChI

InChI=1S/C17H12BrNO2.C10H15NO4/c18-16-14(13-7-3-4-8-15(13)21-16)10-19-9-11-5-1-2-6-12(11)17(19)20;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h1-8H,9-10H2;2-3,8,11H,4-7H2,1H3/b;3-2+