(E)-but-2-enedioic acid; 1-[(7-chloranylquinolin-4-yl)-propyl-amino]pyrrole-3-carbaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 1-[(7-chloranylquinolin-4-yl)-propyl-amino]pyrrole-3-carbaldehyde Openeye Name: 1-[(7-chloro-4-quinolyl)-propyl-amino]pyrrole-3-carbaldehyde; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[(7-chloro-4-quinolinyl)-propylamino]-3-pyrrolecarboxaldehyde IUPAC Name: (E)-but-2-enedioic acid; 1-[(7-chloroquinolin-4-yl)-propylamino]pyrrole-3-carbaldehyde Traditional Name: 1-[(7-chloro-4-quinolyl)-propyl-amino]pyrrole-3-carbaldehyde; fumaric acid Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC(=C3)C=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC(=C3)C=O.C(=C/C(=O)O)\C(=O)O

InChI

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