(E)-4-(6-methylheptan-2-ylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(6-methylheptan-2-ylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(1,5-dimethylhexylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(6-methylheptan-2-ylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(6-methylheptan-2-ylamino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(1,5-dimethylhexylamino)-4-keto-but-2-enoic acid Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)CCCC(C)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H21NO3/c1-9(2)5-4-6-10(3)13-11(14)7-8-12(15)16/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)/b8-7+