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

Systemtic Name: O1-[(2E)-2-(4-fluorophenyl)-2-methoxyimino-ethyl] O4-piperidin-4-yl (E)-but-2-enedioate; 2-methyl-3H-isoindol-1-one Openeye Name: O1-[(2E)-2-(4-fluorophenyl)-2-methoxyimino-ethyl] O4-(4-piperidyl) (E)-but-2-enedioate; 2-methylisoindolin-1-one CAS Name: (E)-2-butenedioic acid O1-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl] ester O4-(4-piperidinyl) ester; 2-methyl-3H-isoindol-1-one IUPAC Name: 1-O-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl] 4-O-piperidin-4-yl (E)-but-2-enedioate; 2-methyl-3H-isoindol-1-one Traditional Name: (E)-but-2-enedioic acid O1-[(2E)-2-(4-fluorophenyl)-2-methyloximino-ethyl] ester O4-(4-piperidyl) ester; 2-methylisoindolin-1-one Formula: C27H30FN3O6 MolecularWeight: 511.542003

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2C1=O.CON=C(COC(=O)C=CC(=O)OC1CCNCC1)C2=CC=C(C=C2)F

Isomeric SMILES

CN1CC2=CC=CC=C2C1=O.CO/N=C(/COC(=O)/C=C/C(=O)OC1CCNCC1)\C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN2O5.C9H9NO/c1-24-21-16(13-2-4-14(19)5-3-13)12-25-17(22)6-7-18(23)26-15-8-10-20-11-9-15;1-10-6-7-4-2-3-5-8(7)9(10)11/h2-7,15,20H,8-12H2,1H3;2-5H,6H2,1H3/b7-6+,21-16-;