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

Systemtic Name: 1-[3-(5-cyclopropyl-7-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(5-cyclopropyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(5-cyclopropyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(5-cyclopropyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(5-cyclopropyl-4-keto-7-methoxy-3,1-benzoxazin-2-yl)-2-pyridyl]isonipecotic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C1)C3CC3)C(=O)OC(=N2)C4=C(N=CC=C4)N5CCC(CC5)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=C1)C3CC3)C(=O)OC(=N2)C4=C(N=CC=C4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C23H23N3O5/c1-30-15-11-17(13-4-5-13)19-18(12-15)25-21(31-23(19)29)16-3-2-8-24-20(16)26-9-6-14(7-10-26)22(27)28/h2-3,8,11-14H,4-7,9-10H2,1H3,(H,27,28)