3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-propanoate

Systemtic Name: 3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-propanoate Openeye Name: 3-[5-(azepan-1-yl)-2-oxo-1-pyridyl]-2,2-dimethyl-propanoate CAS Name: 3-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-2,2-dimethylpropanoate IUPAC Name: 3-[5-(azepan-1-yl)-2-oxopyridin-1-yl]-2,2-dimethylpropanoate Traditional Name: 3-[5-(azepan-1-yl)-2-keto-1-pyridyl]-2,2-dimethyl-propionate Formula: C16H23N2O3- MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C=C(C=CC1=O)N2CCCCCC2)C(=O)[O-]

Isomeric SMILES

CC(C)(CN1C=C(C=CC1=O)N2CCCCCC2)C(=O)[O-]

InChI

InChI=1S/C16H24N2O3/c1-16(2,15(20)21)12-18-11-13(7-8-14(18)19)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,21)/p-1