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

Systemtic Name: O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate; 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-isoindol-1-one Openeye Name: O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate; 2-[2-oxo-2-(1-piperidyl)ethyl]isoindolin-1-one CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester; 2-[2-oxo-2-(1-piperidinyl)ethyl]-3H-isoindol-1-one IUPAC Name: 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate; 2-(2-oxo-2-piperidin-1-ylethyl)-3H-isoindol-1-one Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester; 2-(2-keto-2-piperidino-ethyl)isoindolin-1-one Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1CCN(CC1)C(=O)CN2CC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1CCN(CC1)C(=O)CN2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C15H18N2O2.C10H15NO4/c18-14(16-8-4-1-5-9-16)11-17-10-12-6-2-3-7-13(12)15(17)19;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h2-3,6-7H,1,4-5,8-11H2;2-3,8,11H,4-7H2,1H3/b;3-2+