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

Systemtic Name: 1-[3-(7-methoxy-4-oxidanylidene-5-propan-2-yl-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(5-isopropyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(7-methoxy-4-oxo-5-propan-2-yl-3,1-benzoxazin-2-yl)-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(7-methoxy-4-oxo-5-propan-2-yl-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(5-isopropyl-4-keto-7-methoxy-3,1-benzoxazin-2-yl)-2-pyridyl]isonipecotic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

CC(C)C1=CC(=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C23H25N3O5/c1-13(2)17-11-15(30-3)12-18-19(17)23(29)31-21(25-18)16-5-4-8-24-20(16)26-9-6-14(7-10-26)22(27)28/h4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,27,28)