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

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)ethyl]-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate Openeye Name: 2-(2-indolin-1-ylethyl)isoindolin-1-one; O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester; 2-[2-(2,3-dihydroindol-1-yl)ethyl]-3H-isoindol-1-one IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)ethyl]-3H-isoindol-1-one; 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester; 2-(2-indolin-1-ylethyl)isoindolin-1-one Formula: C28H33N3O5 MolecularWeight: 491.57872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1CN(C2=CC=CC=C21)CCN3CC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1CN(C2=CC=CC=C21)CCN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C18H18N2O.C10H15NO4/c21-18-16-7-3-1-6-15(16)13-20(18)12-11-19-10-9-14-5-2-4-8-17(14)19;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h1-8H,9-13H2;2-3,8,11H,4-7H2,1H3/b;3-2+