2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-2-methyl-propanoic acid Openeye Name: 2-[5-(azepan-1-yl)-2-oxo-1-pyridyl]-2-methyl-propanoic acid CAS Name: 2-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-2-methylpropanoic acid IUPAC Name: 2-[5-(azepan-1-yl)-2-oxopyridin-1-yl]-2-methylpropanoic acid Traditional Name: 2-[5-(azepan-1-yl)-2-keto-1-pyridyl]-2-methyl-propionic acid Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)N1C=C(C=CC1=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C(=O)O)N1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C15H22N2O3/c1-15(2,14(19)20)17-11-12(7-8-13(17)18)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)