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

Systemtic Name: (E)-but-2-enedioic acid; N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide Openeye Name: fumaric acid; N-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]propanamide CAS Name: (E)-2-butenedioic acid; N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]propanamide IUPAC Name: (E)-but-2-enedioic acid; N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide Traditional Name: fumaric acid; N-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]propionamide Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23N3O.C4H4O4/c1-3-17(21)19-13-4-5-16-14(10-13)15(11-18-16)12-6-8-20(2)9-7-12;5-3(6)1-2-4(7)8/h4-5,10-12,18H,3,6-9H2,1-2H3,(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+