(E)-but-2-enedioic acid; 1-[2-[(2-methyl-1-phenylazanyl-propan-2-yl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-[(2-methyl-1-phenylazanyl-propan-2-yl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-[(2-anilino-1,1-dimethyl-ethyl)amino]acetyl]pyrrolidine-2-carbonitrile; fumaric acid CAS Name: 1-[2-[(1-anilino-2-methylpropan-2-yl)amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile; (E)-2-butenedioic acid IUPAC Name: 1-[2-[(1-anilino-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile; (E)-but-2-enedioic acid Traditional Name: 1-[2-[(2-anilino-1,1-dimethyl-ethyl)amino]acetyl]pyrrolidine-2-carbonitrile; fumaric acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=CC=CC=C1)NCC(=O)N2CCCC2C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CNC1=CC=CC=C1)NCC(=O)N2CCCC2C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H24N4O.C4H4O4/c1-17(2,13-19-14-7-4-3-5-8-14)20-12-16(22)21-10-6-9-15(21)11-18;5-3(6)1-2-4(7)8/h3-5,7-8,15,19-20H,6,9-10,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+