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

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(2,3-dihydroindol-1-yl)-5-methyl-phenyl]-4-methyl-piperazine-1-carboxamide Openeye Name: fumaric acid; N-(2-indolin-1-yl-5-methyl-phenyl)-4-methyl-piperazine-1-carboxamide CAS Name: (E)-2-butenedioic acid; N-[2-(2,3-dihydroindol-1-yl)-5-methylphenyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[2-(2,3-dihydroindol-1-yl)-5-methylphenyl]-4-methylpiperazine-1-carboxamide Traditional Name: fumaric acid; N-(2-indolin-1-yl-5-methyl-phenyl)-4-methyl-piperazine-1-carboxamide Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCC3=CC=CC=C32)NC(=O)N4CCN(CC4)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCC3=CC=CC=C32)NC(=O)N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N4O.C4H4O4/c1-16-7-8-20(25-10-9-17-5-3-4-6-19(17)25)18(15-16)22-21(26)24-13-11-23(2)12-14-24;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+