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

Systemtic Name: O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate; 2-[2-(2-phenethyloxyphenyl)ethyl]-3H-isoindol-1-one Openeye Name: O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate; 2-[2-(2-phenethyloxyphenyl)ethyl]isoindolin-1-one CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester; 2-[2-(2-phenethyloxyphenyl)ethyl]-3H-isoindol-1-one IUPAC Name: 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate; 2-[2-(2-phenethyloxyphenyl)ethyl]-3H-isoindol-1-one Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester; 2-[2-(2-phenethyloxyphenyl)ethyl]isoindolin-1-one Formula: C34H38N2O6 MolecularWeight: 570.67532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3OCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3OCCC4=CC=CC=C4

InChI

InChI=1S/C24H23NO2.C10H15NO4/c26-24-22-12-6-4-11-21(22)18-25(24)16-14-20-10-5-7-13-23(20)27-17-15-19-8-2-1-3-9-19;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h1-13H,14-18H2;2-3,8,11H,4-7H2,1H3/b;3-2+