(E)-but-2-enedioic acid; N-[2-(2,3-dihydroindol-1-yl)-5-methoxy-phenyl]-4-methyl-piperazine-1-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(2,3-dihydroindol-1-yl)-5-methoxy-phenyl]-4-methyl-piperazine-1-carboxamide Openeye Name: fumaric acid; N-(2-indolin-1-yl-5-methoxy-phenyl)-4-methyl-piperazine-1-carboxamide CAS Name: (E)-2-butenedioic acid; N-[2-(2,3-dihydroindol-1-yl)-5-methoxyphenyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[2-(2,3-dihydroindol-1-yl)-5-methoxyphenyl]-4-methylpiperazine-1-carboxamide Traditional Name: fumaric acid; N-(2-indolin-1-yl-5-methoxy-phenyl)-4-methyl-piperazine-1-carboxamide Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2=C(C=CC(=C2)OC)N3CCC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)NC2=C(C=CC(=C2)OC)N3CCC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N4O2.C4H4O4/c1-23-11-13-24(14-12-23)21(26)22-18-15-17(27-2)7-8-20(18)25-10-9-16-5-3-4-6-19(16)25;5-3(6)1-2-4(7)8/h3-8,15H,9-14H2,1-2H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1+