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

Systemtic Name: O3-[2-[3-methoxy-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethyl] O5-methyl 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O3-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methoxy-phenyl]ethyl] O5-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 O3-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenyl]ethyl] ester O5-methyl ester IUPAC Name: 3-O-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxyphenyl]ethyl] 5-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 O3-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methoxy-phenyl]ethyl] ester O5-methyl ester Formula: C31H38F3N3O9 MolecularWeight: 653.64333

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)OCCC3=CC(=C(C=C3)OCC(CNC(C)C)O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H38F3N3O9/c1-18(2)35-16-23(38)17-46-25-11-6-20(14-26(25)43-4)12-13-45-29(40)30(21-7-9-22(10-8-21)37(41)42)15-24(27(39)44-5)19(3)36-28(30)31(32,33)34/h6-11,14,18,23,28,35-36,38H,12-13,15-17H2,1-5H3