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

Systemtic Name: (E)-but-2-enedioic acid; 4-(1-propylpiperidin-3-yl)-1H-indole Openeye Name: fumaric acid; 4-(1-propyl-3-piperidyl)-1H-indole CAS Name: (E)-2-butenedioic acid; 4-(1-propyl-3-piperidinyl)-1H-indole IUPAC Name: (E)-but-2-enedioic acid; 4-(1-propylpiperidin-3-yl)-1H-indole Traditional Name: fumaric acid; 4-(1-propyl-3-piperidyl)-1H-indole Formula: C36H48N4O4 MolecularWeight: 600.79072

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC(C1)C2=C3C=CNC3=CC=C2.CCCN1CCCC(C1)C2=C3C=CNC3=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN1CCCC(C1)C2=C3C=CNC3=CC=C2.CCCN1CCCC(C1)C2=C3C=CNC3=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C16H22N2.C4H4O4/c2*1-2-10-18-11-4-5-13(12-18)14-6-3-7-16-15(14)8-9-17-16;5-3(6)1-2-4(7)8/h2*3,6-9,13,17H,2,4-5,10-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+