(E)-but-2-enedioic acid; [2-[6-(dimethylamino)hexyl]phenyl]-phenyl-methanone

Systemtic Name: (E)-but-2-enedioic acid; [2-[6-(dimethylamino)hexyl]phenyl]-phenyl-methanone Openeye Name: [2-[6-(dimethylamino)hexyl]phenyl]-phenyl-methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; [2-[6-(dimethylamino)hexyl]phenyl]-phenylmethanone IUPAC Name: (E)-but-2-enedioic acid; [2-[6-(dimethylamino)hexyl]phenyl]-phenylmethanone Traditional Name: [2-[6-(dimethylamino)hexyl]phenyl]-phenyl-methanone; fumaric acid Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCC1=CC=CC=C1C(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCCCCC1=CC=CC=C1C(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H27NO.C4H4O4/c1-22(2)17-11-4-3-6-12-18-13-9-10-16-20(18)21(23)19-14-7-5-8-15-19;5-3(6)1-2-4(7)8/h5,7-10,13-16H,3-4,6,11-12,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+