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

Systemtic Name: 3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoate Openeye Name: 3-[5-(azepan-1-yl)-2-oxo-1-pyridyl]propanoate CAS Name: 3-[5-(1-azepanyl)-2-oxo-1-pyridinyl]propanoate IUPAC Name: 3-[5-(azepan-1-yl)-2-oxopyridin-1-yl]propanoate Traditional Name: 3-[5-(azepan-1-yl)-2-keto-1-pyridyl]propionate Formula: C14H19N2O3- MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCC(=O)[O-]

InChI

InChI=1S/C14H20N2O3/c17-13-6-5-12(11-16(13)10-7-14(18)19)15-8-3-1-2-4-9-15/h5-6,11H,1-4,7-10H2,(H,18,19)/p-1