[8-[bis(fluoranyl)methoxy]-6-(4-cyanophenyl)-9-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl] ethanoate

Systemtic Name: [8-[bis(fluoranyl)methoxy]-6-(4-cyanophenyl)-9-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl] ethanoate Openeye Name: [6-(4-cyanophenyl)-8-(difluoromethoxy)-9-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl] acetate CAS Name: acetic acid [6-(4-cyanophenyl)-8-(difluoromethoxy)-9-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl] ester IUPAC Name: [6-(4-cyanophenyl)-8-(difluoromethoxy)-9-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl] acetate Traditional Name: acetic acid [6-(4-cyanophenyl)-8-(difluoromethoxy)-9-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl] ester Formula: C24H22F2N2O4 MolecularWeight: 440.439286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C(C1)C3=CC(=C(C=C3C(=N2)C4=CC=C(C=C4)C#N)OC(F)F)OC

Isomeric SMILES

CC(=O)OC1CCC2C(C1)C3=CC(=C(C=C3C(=N2)C4=CC=C(C=C4)C#N)OC(F)F)OC

InChI

InChI=1S/C24H22F2N2O4/c1-13(29)31-16-7-8-20-18(9-16)17-10-21(30-2)22(32-24(25)26)11-19(17)23(28-20)15-5-3-14(12-27)4-6-15/h3-6,10-11,16,18,20,24H,7-9H2,1-2H3