(E)-but-2-enedioic acid; N-propyl-N-pyrrol-1-yl-quinolin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-propyl-N-pyrrol-1-yl-quinolin-4-amine Openeye Name: fumaric acid; N-propyl-N-pyrrol-1-yl-quinolin-4-amine CAS Name: (E)-2-butenedioic acid; N-propyl-N-(1-pyrrolyl)-4-quinolinamine IUPAC Name: (E)-but-2-enedioic acid; N-propyl-N-pyrrol-1-ylquinolin-4-amine Traditional Name: fumaric acid; propyl-pyrrol-1-yl-(4-quinolyl)amine Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=NC2=CC=CC=C21)N3C=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=CC=NC2=CC=CC=C21)N3C=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17N3.C4H4O4/c1-2-11-19(18-12-5-6-13-18)16-9-10-17-15-8-4-3-7-14(15)16;5-3(6)1-2-4(7)8/h3-10,12-13H,2,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+