(E)-but-2-enedioic acid; N-[2-[3-(dimethylamino)propyl-phenyl-amino]pyridin-3-yl]benzamide

Systemtic Name: (E)-but-2-enedioic acid; N-[2-[3-(dimethylamino)propyl-phenyl-amino]pyridin-3-yl]benzamide Openeye Name: N-[2-[N-[3-(dimethylamino)propyl]anilino]-3-pyridyl]benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[2-[N-[3-(dimethylamino)propyl]anilino]-3-pyridinyl]benzamide IUPAC Name: (E)-but-2-enedioic acid; N-[2-[N-[3-(dimethylamino)propyl]anilino]pyridin-3-yl]benzamide Traditional Name: N-[2-[N-[3-(dimethylamino)propyl]anilino]-3-pyridyl]benzamide; fumaric acid Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=CC=CC=C1)C2=C(C=CC=N2)NC(=O)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCN(C1=CC=CC=C1)C2=C(C=CC=N2)NC(=O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H26N4O.C4H4O4/c1-26(2)17-10-18-27(20-13-7-4-8-14-20)22-21(15-9-16-24-22)25-23(28)19-11-5-3-6-12-19;5-3(6)1-2-4(7)8/h3-9,11-16H,10,17-18H2,1-2H3,(H,25,28);1-2H,(H,5,6)(H,7,8)/b;2-1+