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

Systemtic Name: 2-[2-(3-chlorophenyl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate Openeye Name: 2-[2-(3-chlorophenyl)-2-oxo-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-(3-chlorophenyl)-2-oxoethyl]-3H-isoindol-1-one IUPAC Name: 2-[2-(3-chlorophenyl)-2-oxoethyl]-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-(3-chlorophenyl)-2-keto-ethyl]isoindolin-1-one Formula: C26H27ClN2O6 MolecularWeight: 498.95538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H12ClNO2.C10H15NO4/c17-13-6-3-5-11(8-13)15(19)10-18-9-12-4-1-2-7-14(12)16(18)20;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h1-8H,9-10H2;2-3,8,11H,4-7H2,1H3/b;3-2+