(E)-but-2-enedioic acid; 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanamide Openeye Name: fumaric acid; 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]acetamide CAS Name: (E)-2-butenedioic acid; 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]acetamide IUPAC Name: (E)-but-2-enedioic acid; 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]acetamide Traditional Name: fumaric acid; 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]acetamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)CC(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)CC(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19N3O.C4H4O4/c1-19-6-4-12(5-7-19)14-10-18-15-3-2-11(8-13(14)15)9-16(17)20;5-3(6)1-2-4(7)8/h2-4,8,10,18H,5-7,9H2,1H3,(H2,17,20);1-2H,(H,5,6)(H,7,8)/b;2-1+