(E)-but-2-enedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-propan-2-yl-1H-indole-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-propan-2-yl-1H-indole-5-carboxamide Openeye Name: fumaric acid; N-isopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide CAS Name: (E)-2-butenedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-propan-2-yl-1H-indole-5-carboxamide IUPAC Name: (E)-but-2-enedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-propan-2-yl-1H-indole-5-carboxamide Traditional Name: fumaric acid; N-isopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)NC=C2C3=CCN(CC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)NC=C2C3=CCN(CC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H23N3O.C4H4O4/c1-12(2)20-18(22)14-4-5-17-15(10-14)16(11-19-17)13-6-8-21(3)9-7-13;5-3(6)1-2-4(7)8/h4-6,10-12,19H,7-9H2,1-3H3,(H,20,22);1-2H,(H,5,6)(H,7,8)/b;2-1+