2-[4-[3-(5-ethyl-7-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(5-ethyl-7-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(5-ethyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[3-(5-ethyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-(5-ethyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)pyridin-2-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-(5-ethyl-4-keto-7-methoxy-3,1-benzoxazin-2-yl)-2-pyridyl]piperazino]acetic acid Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCN(CC4)CC(=O)O)OC

Isomeric SMILES

CCC1=CC(=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCN(CC4)CC(=O)O)OC

InChI

InChI=1S/C22H24N4O5/c1-3-14-11-15(30-2)12-17-19(14)22(29)31-21(24-17)16-5-4-6-23-20(16)26-9-7-25(8-10-26)13-18(27)28/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,27,28)