(E)-but-2-enedioic acid; 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine Openeye Name: fumaric acid; 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(4,4,7-trimethyl-1-indeno[1,2-b]pyrrolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine Traditional Name: fumaric acid; [1-methyl-2-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)ethyl]amine Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(C3=C2N(C=C3)CC(C)N)(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(C3=C2N(C=C3)CC(C)N)(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H22N2.C4H4O4/c1-11-5-6-14-13(9-11)16-15(17(14,3)4)7-8-19(16)10-12(2)18;5-3(6)1-2-4(7)8/h5-9,12H,10,18H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+