ethyl 5-[4-[2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[4-[2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]piperazin-1-yl]benzofuran-2-carboxylate CAS Name: 5-[4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-piperazinyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxylate Traditional Name: 5-[4-[2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]piperazino]coumarilic acid ethyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CC3)CCC4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CC3)CCC4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C25H27N3O5/c1-2-31-25(30)23-15-18-14-19(4-6-21(18)33-23)28-11-9-27(10-12-28)8-7-17-3-5-22-20(13-17)26-24(29)16-32-22/h3-6,13-15H,2,7-12,16H2,1H3,(H,26,29)