(E)-but-2-enedioic acid; 3-[2-(dimethylaminomethyl)cyclopropyl]-1H-indole-5-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-(dimethylaminomethyl)cyclopropyl]-1H-indole-5-carbonitrile Openeye Name: 3-[2-(dimethylaminomethyl)cyclopropyl]-1H-indole-5-carbonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[2-(dimethylaminomethyl)cyclopropyl]-1H-indole-5-carbonitrile IUPAC Name: (E)-but-2-enedioic acid; 3-[2-(dimethylaminomethyl)cyclopropyl]-1H-indole-5-carbonitrile Traditional Name: 3-[2-(dimethylaminomethyl)cyclopropyl]-1H-indole-5-carbonitrile; fumaric acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CC1C2=CNC3=C2C=C(C=C3)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1CC1C2=CNC3=C2C=C(C=C3)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17N3.C4H4O4/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15;5-3(6)1-2-4(7)8/h3-5,8,11-12,17H,6,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+