(E)-but-2-enedioic acid; 1-ethyl-2-[1-(phenylmethyl)piperidin-4-yl]-1,3-dihydroisoindole

Systemtic Name: (E)-but-2-enedioic acid; 1-ethyl-2-[1-(phenylmethyl)piperidin-4-yl]-1,3-dihydroisoindole Openeye Name: 2-(1-benzyl-4-piperidyl)-1-ethyl-isoindoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-ethyl-2-[1-(phenylmethyl)-4-piperidinyl]-1,3-dihydroisoindole IUPAC Name: 2-(1-benzylpiperidin-4-yl)-1-ethyl-1,3-dihydroisoindole; (E)-but-2-enedioic acid Traditional Name: 2-(1-benzyl-4-piperidyl)-1-ethyl-isoindoline; fumaric acid Formula: C30H36N2O8 MolecularWeight: 552.61544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2CN1C3CCN(CC3)CC4=CC=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1N(CC2=CC=CC=C12)C3CCN(CC3)CC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H28N2.2C4H4O4/c1-2-22-21-11-7-6-10-19(21)17-24(22)20-12-14-23(15-13-20)16-18-8-4-3-5-9-18;2*5-3(6)1-2-4(7)8/h3-11,20,22H,2,12-17H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+