1-[3-(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(4-keto-5-methyl-3,1-benzoxazin-2-yl)-2-pyridyl]isonipecotic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C20H19N3O4/c1-12-4-2-6-15-16(12)20(26)27-18(22-15)14-5-3-9-21-17(14)23-10-7-13(8-11-23)19(24)25/h2-6,9,13H,7-8,10-11H2,1H3,(H,24,25)