(E)-4-(1-azanyl-6-methyl-heptan-4-yl)oxy-4-oxidanylidene-but-2-enoic acid; 2-azanyl-4-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: (E)-4-(1-azanyl-6-methyl-heptan-4-yl)oxy-4-oxidanylidene-but-2-enoic acid; 2-azanyl-4-(trifluoromethyl)benzenecarbonitrile Openeye Name: (E)-4-[1-(3-aminopropyl)-3-methyl-butoxy]-4-oxo-but-2-enoic acid; 2-amino-4-(trifluoromethyl)benzonitrile CAS Name: (E)-4-(1-amino-6-methylheptan-4-yl)oxy-4-oxo-2-butenoic acid; 2-amino-4-(trifluoromethyl)benzonitrile IUPAC Name: (E)-4-(1-amino-6-methylheptan-4-yl)oxy-4-oxobut-2-enoic acid; 2-amino-4-(trifluoromethyl)benzonitrile Traditional Name: (E)-4-[1-(3-aminopropyl)-3-methyl-butoxy]-4-keto-but-2-enoic acid; 2-amino-4-(trifluoromethyl)benzonitrile Formula: C20H26F3N3O4 MolecularWeight: 429.43335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCCN)OC(=O)C=CC(=O)O.C1=CC(=C(C=C1C(F)(F)F)N)C#N

Isomeric SMILES

CC(C)CC(CCCN)OC(=O)/C=C/C(=O)O.C1=CC(=C(C=C1C(F)(F)F)N)C#N

InChI

InChI=1S/C12H21NO4.C8H5F3N2/c1-9(2)8-10(4-3-7-13)17-12(16)6-5-11(14)15;9-8(10,11)6-2-1-5(4-12)7(13)3-6/h5-6,9-10H,3-4,7-8,13H2,1-2H3,(H,14,15);1-3H,13H2/b6-5+;