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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

CCCC1=CC(=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O)OC

InChI

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