(2R)-2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-3-methyl-butanoate

Systemtic Name: (2R)-2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-3-methyl-butanoate Openeye Name: (2R)-2-[5-(azepan-1-yl)-2-oxo-1-pyridyl]-3-methyl-butanoate CAS Name: (2R)-2-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-3-methylbutanoate IUPAC Name: (2R)-2-[5-(azepan-1-yl)-2-oxopyridin-1-yl]-3-methylbutanoate Traditional Name: (2R)-2-[5-(azepan-1-yl)-2-keto-1-pyridyl]-3-methyl-butyrate Formula: C16H23N2O3- MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N1C=C(C=CC1=O)N2CCCCCC2

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])N1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C16H24N2O3/c1-12(2)15(16(20)21)18-11-13(7-8-14(18)19)17-9-5-3-4-6-10-17/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,21)/p-1/t15-/m1/s1