ethyl 4-[5-[[2,4-bis(fluoranyl)phenoxy]methyl]furan-2-yl]-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-[5-[[2,4-bis(fluoranyl)phenoxy]methyl]furan-2-yl]-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-[5-[(2,4-difluorophenoxy)methyl]-2-furyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-[5-[(2,4-difluorophenoxy)methyl]-2-furanyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-[5-[(2,4-difluorophenoxy)methyl]-2-furyl]-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C26H27F2NO5 MolecularWeight: 471.493086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(O3)COC4=C(C=C(C=C4)F)F)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(O3)COC4=C(C=C(C=C4)F)F)(C)C)C

InChI

InChI=1S/C26H27F2NO5/c1-5-32-25(31)22-14(2)29-18-11-26(3,4)12-19(30)23(18)24(22)21-9-7-16(34-21)13-33-20-8-6-15(27)10-17(20)28/h6-11,23-24,29H,5,12-13H2,1-4H3