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

Systemtic Name: O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate; 2-[2-(2-phenylphenyl)ethyl]-3H-isoindol-1-one Openeye Name: O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate; 2-[2-(2-phenylphenyl)ethyl]isoindolin-1-one CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester; 2-[2-(2-phenylphenyl)ethyl]-3H-isoindol-1-one IUPAC Name: 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate; 2-[2-(2-phenylphenyl)ethyl]-3H-isoindol-1-one Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester; 2-[2-(2-phenylphenyl)ethyl]isoindolin-1-one Formula: C32H34N2O5 MolecularWeight: 526.62276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C22H19NO.C10H15NO4/c24-22-21-13-7-5-11-19(21)16-23(22)15-14-18-10-4-6-12-20(18)17-8-2-1-3-9-17;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h1-13H,14-16H2;2-3,8,11H,4-7H2,1H3/b;3-2+