(E)-but-2-enedioic acid; 1-methyl-N-propan-2-yl-indol-3-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-N-propan-2-yl-indol-3-amine Openeye Name: fumaric acid; N-isopropyl-1-methyl-indol-3-amine CAS Name: (E)-2-butenedioic acid; 1-methyl-N-propan-2-yl-3-indolamine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-N-propan-2-ylindol-3-amine Traditional Name: fumaric acid; isopropyl-(1-methylindol-3-yl)amine Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CN(C2=CC=CC=C21)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NC1=CN(C2=CC=CC=C21)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16N2.C4H4O4/c1-9(2)13-11-8-14(3)12-7-5-4-6-10(11)12;5-3(6)1-2-4(7)8/h4-9,13H,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+