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

Systemtic Name: (E)-4-(cyclooctylamino)-2-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(cyclooctylamino)-2-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-(cyclooctylamino)-2-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(cyclooctylamino)-2-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-(cyclooctylamino)-4-keto-2-methyl-but-2-enoic acid Formula: C13H21NO3 MolecularWeight: 239.31074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1CCCCCCC1)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)NC1CCCCCCC1)/C(=O)O

InChI

InChI=1S/C13H21NO3/c1-10(13(16)17)9-12(15)14-11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H,14,15)(H,16,17)/b10-9+