(E)-but-2-enedioic acid; 1-(6-phenyl-2,3-dihydroindol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(6-phenyl-2,3-dihydroindol-1-yl)propan-2-amine Openeye Name: fumaric acid; 1-(6-phenylindolin-1-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(6-phenyl-2,3-dihydroindol-1-yl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(6-phenyl-2,3-dihydroindol-1-yl)propan-2-amine Traditional Name: fumaric acid; [1-methyl-2-(6-phenylindolin-1-yl)ethyl]amine Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC2=C1C=C(C=C2)C3=CC=CC=C3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1CCC2=C1C=C(C=C2)C3=CC=CC=C3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N2.C4H4O4/c1-13(18)12-19-10-9-15-7-8-16(11-17(15)19)14-5-3-2-4-6-14;5-3(6)1-2-4(7)8/h2-8,11,13H,9-10,12,18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+