(E)-but-2-enedioic acid; N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboxamide Openeye Name: fumaric acid; N-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]furan-2-carboxamide CAS Name: (E)-2-butenedioic acid; N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]-2-furancarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboxamide Traditional Name: fumaric acid; N-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]-2-furamide Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CO4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CO4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21N3O2.C4H4O4/c1-22-8-6-13(7-9-22)16-12-20-17-5-4-14(11-15(16)17)21-19(23)18-3-2-10-24-18;5-3(6)1-2-4(7)8/h2-5,10-13,20H,6-9H2,1H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1+