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

Systemtic Name: 2-(1-benzofuran-3-ylmethyl)-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate Openeye Name: 2-(benzofuran-3-ylmethyl)isoindolin-1-one; O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate CAS Name: 2-(3-benzofuranylmethyl)-3H-isoindol-1-one; (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester IUPAC Name: 2-(1-benzofuran-3-ylmethyl)-3H-isoindol-1-one; 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate Traditional Name: 2-(benzofuran-3-ylmethyl)isoindolin-1-one; (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CC3=COC4=CC=CC=C43

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CC3=COC4=CC=CC=C43

InChI

InChI=1S/C17H13NO2.C10H15NO4/c19-17-15-7-2-1-5-12(15)9-18(17)10-13-11-20-16-8-4-3-6-14(13)16;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h1-8,11H,9-10H2;2-3,8,11H,4-7H2,1H3/b;3-2+