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

Systemtic Name: (E)-but-2-enedioic acid; 4-(1-methylpiperidin-3-yl)-1H-indole Openeye Name: fumaric acid; 4-(1-methyl-3-piperidyl)-1H-indole CAS Name: (E)-2-butenedioic acid; 4-(1-methyl-3-piperidinyl)-1H-indole IUPAC Name: (E)-but-2-enedioic acid; 4-(1-methylpiperidin-3-yl)-1H-indole Traditional Name: fumaric acid; 4-(1-methyl-3-piperidyl)-1H-indole Formula: C32H40N4O4 MolecularWeight: 544.6844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C2=C3C=CNC3=CC=C2.CN1CCCC(C1)C2=C3C=CNC3=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC(C1)C2=C3C=CNC3=CC=C2.CN1CCCC(C1)C2=C3C=CNC3=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C14H18N2.C4H4O4/c2*1-16-9-3-4-11(10-16)12-5-2-6-14-13(12)7-8-15-14;5-3(6)1-2-4(7)8/h2*2,5-8,11,15H,3-4,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+