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

Systemtic Name: (E)-but-2-enedioic acid; 3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide Openeye Name: fumaric acid; 3-methoxy-N-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]benzamide CAS Name: (E)-2-butenedioic acid; 3-methoxy-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]benzamide IUPAC Name: (E)-but-2-enedioic acid; 3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide Traditional Name: fumaric acid; 3-methoxy-N-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]benzamide Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2.C4H4O4/c1-25-10-8-15(9-11-25)20-14-23-21-7-6-17(13-19(20)21)24-22(26)16-4-3-5-18(12-16)27-2;5-3(6)1-2-4(7)8/h3-7,12-15,23H,8-11H2,1-2H3,(H,24,26);1-2H,(H,5,6)(H,7,8)/b;2-1+