2-[[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)amino]methyl]-5-ethyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)amino]methyl]-5-ethyl-pyridine-3-carboxylic acid Openeye Name: 2-[[(1-carbamoyl-1,2-dimethyl-propyl)amino]methyl]-5-ethyl-pyridine-3-carboxylic acid CAS Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]methyl]-5-ethyl-3-pyridinecarboxylic acid IUPAC Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]methyl]-5-ethylpyridine-3-carboxylic acid Traditional Name: 2-[[(1-carbamoyl-1,2-dimethyl-propyl)amino]methyl]-5-ethyl-nicotinic acid Formula: C15H23N3O3 MolecularWeight: 293.36142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C(=C1)C(=O)O)CNC(C)(C(C)C)C(=O)N

Isomeric SMILES

CCC1=CN=C(C(=C1)C(=O)O)CNC(C)(C(C)C)C(=O)N

InChI

InChI=1S/C15H23N3O3/c1-5-10-6-11(13(19)20)12(17-7-10)8-18-15(4,9(2)3)14(16)21/h6-7,9,18H,5,8H2,1-4H3,(H2,16,21)(H,19,20)