(E)-but-2-enedioic acid; 2-[[1-(2-naphthalen-2-ylethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CCC4=CC5=CC=CC=C5C=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CCC4=CC5=CC=CC=C5C=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H28N2O.C4H4O4/c29-26-25-8-4-3-7-24(25)19-28(26)18-21-12-15-27(16-13-21)14-11-20-9-10-22-5-1-2-6-23(22)17-20;5-3(6)1-2-4(7)8/h1-10,17,21H,11-16,18-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+