(E)-but-2-enedioic acid; N-indol-1-ylquinolin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-indol-1-ylquinolin-4-amine Openeye Name: fumaric acid; N-indol-1-ylquinolin-4-amine CAS Name: (E)-2-butenedioic acid; N-(1-indolyl)-4-quinolinamine IUPAC Name: (E)-but-2-enedioic acid; N-indol-1-ylquinolin-4-amine Traditional Name: fumaric acid; indol-1-yl(4-quinolyl)amine Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2NC3=CC=NC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2NC3=CC=NC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H13N3.C4H4O4/c1-4-8-17-13(5-1)10-12-20(17)19-16-9-11-18-15-7-3-2-6-14(15)16;5-3(6)1-2-4(7)8/h1-12H,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+