ethyl 6-[[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-3-methyl-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 6-[[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-3-methyl-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: ethyl 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]methyl]-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]methyl]-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: 6-[[4-(6-fluoroindoxazen-3-yl)piperidino]methyl]-4-keto-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid ethyl ester Formula: C25H27FN2O5 MolecularWeight: 454.490683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)CC(CC2=O)CN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)CC(CC2=O)CN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C

InChI

InChI=1S/C25H27FN2O5/c1-3-31-25(30)24-14(2)22-19(29)10-15(11-21(22)32-24)13-28-8-6-16(7-9-28)23-18-5-4-17(26)12-20(18)33-27-23/h4-5,12,15-16H,3,6-11,13H2,1-2H3