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

Systemtic Name: (E)-but-2-enedioic acid; 1-(6-methyl-2,3-dihydroindol-1-yl)propan-2-amine Openeye Name: fumaric acid; 1-(6-methylindolin-1-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(6-methyl-2,3-dihydroindol-1-yl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(6-methyl-2,3-dihydroindol-1-yl)propan-2-amine Traditional Name: fumaric acid; [1-methyl-2-(6-methylindolin-1-yl)ethyl]amine Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCN2CC(C)N)C=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(CCN2CC(C)N)C=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H18N2.C4H4O4/c1-9-3-4-11-5-6-14(8-10(2)13)12(11)7-9;5-3(6)1-2-4(7)8/h3-4,7,10H,5-6,8,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+