2-[(1-azanyl-6-methyl-heptan-4-yl)amino]-4-(trifluoromethyl)benzenecarbonitrile; (E)-but-2-enedioic acid

Systemtic Name: 2-[(1-azanyl-6-methyl-heptan-4-yl)amino]-4-(trifluoromethyl)benzenecarbonitrile; (E)-but-2-enedioic acid Openeye Name: 2-[[1-(3-aminopropyl)-3-methyl-butyl]amino]-4-(trifluoromethyl)benzonitrile; fumaric acid CAS Name: 2-[(1-amino-6-methylheptan-4-yl)amino]-4-(trifluoromethyl)benzonitrile; (E)-2-butenedioic acid IUPAC Name: 2-[(1-amino-6-methylheptan-4-yl)amino]-4-(trifluoromethyl)benzonitrile; (E)-but-2-enedioic acid Traditional Name: 2-[[1-(3-aminopropyl)-3-methyl-butyl]amino]-4-(trifluoromethyl)benzonitrile; fumaric acid Formula: C20H26F3N3O4 MolecularWeight: 429.43335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCCN)NC1=C(C=CC(=C1)C(F)(F)F)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC(CCCN)NC1=C(C=CC(=C1)C(F)(F)F)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22F3N3.C4H4O4/c1-11(2)8-14(4-3-7-20)22-15-9-13(16(17,18)19)6-5-12(15)10-21;5-3(6)1-2-4(7)8/h5-6,9,11,14,22H,3-4,7-8,20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+