(E)-but-2-enedioic acid; 4-(1-ethylpiperidin-3-yl)-1H-indole

Systemtic Name: (E)-but-2-enedioic acid; 4-(1-ethylpiperidin-3-yl)-1H-indole Openeye Name: 4-(1-ethyl-3-piperidyl)-1H-indole; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(1-ethyl-3-piperidinyl)-1H-indole IUPAC Name: (E)-but-2-enedioic acid; 4-(1-ethylpiperidin-3-yl)-1H-indole Traditional Name: 4-(1-ethyl-3-piperidyl)-1H-indole; fumaric acid Formula: C34H44N4O4 MolecularWeight: 572.73756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)C2=C3C=CNC3=CC=C2.CCN1CCCC(C1)C2=C3C=CNC3=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCCC(C1)C2=C3C=CNC3=CC=C2.CCN1CCCC(C1)C2=C3C=CNC3=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C15H20N2.C4H4O4/c2*1-2-17-10-4-5-12(11-17)13-6-3-7-15-14(13)8-9-16-15;5-3(6)1-2-4(7)8/h2*3,6-9,12,16H,2,4-5,10-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+