(E)-but-2-enedioic acid; 1-[propyl(pyridin-4-yl)amino]indole-3-carbaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 1-[propyl(pyridin-4-yl)amino]indole-3-carbaldehyde Openeye Name: fumaric acid; 1-[propyl(4-pyridyl)amino]indole-3-carbaldehyde CAS Name: (E)-2-butenedioic acid; 1-[propyl(pyridin-4-yl)amino]-3-indolecarboxaldehyde IUPAC Name: (E)-but-2-enedioic acid; 1-[propyl(pyridin-4-yl)amino]indole-3-carbaldehyde Traditional Name: fumaric acid; 1-[propyl(4-pyridyl)amino]indole-3-carbaldehyde Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=NC=C1)N2C=C(C3=CC=CC=C32)C=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=CC=NC=C1)N2C=C(C3=CC=CC=C32)C=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H17N3O.C4H4O4/c1-2-11-19(15-7-9-18-10-8-15)20-12-14(13-21)16-5-3-4-6-17(16)20;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+