1-[3-(5-cyclobutyl-7-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-(5-cyclobutyl-7-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(5-cyclobutyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(5-cyclobutyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(5-cyclobutyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(5-cyclobutyl-4-keto-7-methoxy-3,1-benzoxazin-2-yl)-2-pyridyl]isonipecotic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C1)C3CCC3)C(=O)OC(=N2)C4=C(N=CC=C4)N5CCC(CC5)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=C1)C3CCC3)C(=O)OC(=N2)C4=C(N=CC=C4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C24H25N3O5/c1-31-16-12-18(14-4-2-5-14)20-19(13-16)26-22(32-24(20)30)17-6-3-9-25-21(17)27-10-7-15(8-11-27)23(28)29/h3,6,9,12-15H,2,4-5,7-8,10-11H2,1H3,(H,28,29)