O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate; 2-(2-naphthalen-2-ylethyl)-3H-isoindol-1-one

Systemtic Name: O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate; 2-(2-naphthalen-2-ylethyl)-3H-isoindol-1-one Openeye Name: O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate; 2-[2-(2-naphthyl)ethyl]isoindolin-1-one CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester; 2-[2-(2-naphthalenyl)ethyl]-3H-isoindol-1-one IUPAC Name: 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate; 2-(2-naphthalen-2-ylethyl)-3H-isoindol-1-one Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester; 2-[2-(2-naphthyl)ethyl]isoindolin-1-one Formula: C30H32N2O5 MolecularWeight: 500.58548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H17NO.C10H15NO4/c22-20-19-8-4-3-7-18(19)14-21(20)12-11-15-9-10-16-5-1-2-6-17(16)13-15;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h1-10,13H,11-12,14H2;2-3,8,11H,4-7H2,1H3/b;3-2+