O3-methyl O5-[2-[2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenoxy]ethyl] 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-[2-[2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenoxy]ethyl] 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O5-[2-[2-[2-hydroxy-3-(isopropylamino)propoxy]phenoxy]ethyl] O3-methyl 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-[2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]ethyl] ester O3-methyl ester IUPAC Name: 5-O-[2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]ethyl] 3-O-methyl 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-[2-[2-[2-hydroxy-3-(isopropylamino)propoxy]phenoxy]ethyl] ester O3-methyl ester Formula: C30H36F3N3O9 MolecularWeight: 639.61675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(N1)C(F)(F)F)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C(=O)OCCOC3=CC=CC=C3OCC(CNC(C)C)O

Isomeric SMILES

CC1=C(CC(C(N1)C(F)(F)F)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C(=O)OCCOC3=CC=CC=C3OCC(CNC(C)C)O

InChI

InChI=1S/C30H36F3N3O9/c1-18(2)34-16-22(37)17-45-25-8-6-5-7-24(25)43-13-14-44-26(38)23-15-29(28(39)42-4,27(30(31,32)33)35-19(23)3)20-9-11-21(12-10-20)36(40)41/h5-12,18,22,27,34-35,37H,13-17H2,1-4H3