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

Systemtic Name: O5-methyl O3-[2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethyl] 6-methyl-2-(4-nitrophenyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O3-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethyl] O5-methyl 6-methyl-2-(4-nitrophenyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 6-methyl-2-(4-nitrophenyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl] ester O5-methyl ester IUPAC Name: 3-O-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl] 5-O-methyl 6-methyl-2-(4-nitrophenyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 6-methyl-2-(4-nitrophenyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethyl] ester O5-methyl ester Formula: C30H36F3N3O8 MolecularWeight: 623.61735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(N1)(C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)OCCC3=CC=C(C=C3)OCC(CNC(C)C)O)C(=O)OC

Isomeric SMILES

CC1=C(CC(C(N1)(C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)OCCC3=CC=C(C=C3)OCC(CNC(C)C)O)C(=O)OC

InChI

InChI=1S/C30H36F3N3O8/c1-18(2)34-16-23(37)17-44-24-11-5-20(6-12-24)13-14-43-28(39)26-15-25(27(38)42-4)19(3)35-29(26,30(31,32)33)21-7-9-22(10-8-21)36(40)41/h5-12,18,23,26,34-35,37H,13-17H2,1-4H3