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

Systemtic Name: 1-[3-(5-ethyl-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(5-ethyl-4-oxo-3,1-benzoxazin-2-yl)-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(5-ethyl-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(5-ethyl-4-oxo-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(5-ethyl-4-keto-3,1-benzoxazin-2-yl)-2-pyridyl]isonipecotic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N=C(OC2=O)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC=C1)N=C(OC2=O)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H21N3O4/c1-2-13-5-3-7-16-17(13)21(27)28-19(23-16)15-6-4-10-22-18(15)24-11-8-14(9-12-24)20(25)26/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,25,26)