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

Systemtic Name: 2-[2-[(2-methoxyphenyl)amino]ethyl]-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate Openeye Name: 2-[2-(2-methoxyanilino)ethyl]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-methoxyanilino)ethyl]-3H-isoindol-1-one IUPAC Name: 2-[2-(2-methoxyanilino)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-(o-anisidino)ethyl]isoindolin-1-one Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCCN2CC3=CC=CC=C3C2=O.COC(=O)C=CC(=O)OC1CCNCC1

Isomeric SMILES

COC1=CC=CC=C1NCCN2CC3=CC=CC=C3C2=O.COC(=O)/C=C/C(=O)OC1CCNCC1

InChI

InChI=1S/C17H18N2O2.C10H15NO4/c1-21-16-9-5-4-8-15(16)18-10-11-19-12-13-6-2-3-7-14(13)17(19)20;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h2-9,18H,10-12H2,1H3;2-3,8,11H,4-7H2,1H3/b;3-2+