(E)-4-(cycloheptylamino)-2-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(cycloheptylamino)-2-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(cycloheptylamino)-2-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-(cycloheptylamino)-2-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(cycloheptylamino)-2-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-(cycloheptylamino)-4-keto-2-methyl-but-2-enoic acid Formula: C12H19NO3 MolecularWeight: 225.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1CCCCCC1)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)NC1CCCCCC1)/C(=O)O

InChI

InChI=1S/C12H19NO3/c1-9(12(15)16)8-11(14)13-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3,(H,13,14)(H,15,16)/b9-8+