2-(3-methyl-2-oxidanylidene-azepan-1-yl)ethanoic acid

Systemtic Name: 2-(3-methyl-2-oxidanylidene-azepan-1-yl)ethanoic acid Openeye Name: 2-(3-methyl-2-oxo-azepan-1-yl)acetic acid CAS Name: 2-(3-methyl-2-oxo-1-azepanyl)acetic acid IUPAC Name: 2-(3-methyl-2-oxoazepan-1-yl)acetic acid Traditional Name: 2-(2-keto-3-methyl-azepan-1-yl)acetic acid Formula: C9H15NO3 MolecularWeight: 185.2203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN(C1=O)CC(=O)O

Isomeric SMILES

CC1CCCCN(C1=O)CC(=O)O

InChI

InChI=1S/C9H15NO3/c1-7-4-2-3-5-10(9(7)13)6-8(11)12/h7H,2-6H2,1H3,(H,11,12)