(E)-but-2-enedioic acid; 1-[(7-chloranylquinolin-4-yl)-propyl-amino]pyrrole-2-carbaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 1-[(7-chloranylquinolin-4-yl)-propyl-amino]pyrrole-2-carbaldehyde Openeye Name: 1-[(7-chloro-4-quinolyl)-propyl-amino]pyrrole-2-carbaldehyde; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[(7-chloro-4-quinolinyl)-propylamino]-2-pyrrolecarboxaldehyde IUPAC Name: (E)-but-2-enedioic acid; 1-[(7-chloroquinolin-4-yl)-propylamino]pyrrole-2-carbaldehyde Traditional Name: 1-[(7-chloro-4-quinolyl)-propyl-amino]pyrrole-2-carbaldehyde; fumaric acid Formula: C21H20ClN3O5 MolecularWeight: 429.8536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC=C3C=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC=C3C=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H16ClN3O.C4H4O4/c1-2-9-21(20-10-3-4-14(20)12-22)17-7-8-19-16-11-13(18)5-6-15(16)17;5-3(6)1-2-4(7)8/h3-8,10-12H,2,9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+