O3-[2-[ethanoyl-[4-(oxiran-2-ylmethoxy)phenyl]amino]ethyl] O5-methyl 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-[2-[ethanoyl-[4-(oxiran-2-ylmethoxy)phenyl]amino]ethyl] O5-methyl 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O3-[2-[N-acetyl-4-(oxiran-2-ylmethoxy)anilino]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-[N-acetyl-4-(2-oxiranylmethoxy)anilino]ethyl] ester O5-methyl ester IUPAC Name: 3-O-[2-[N-acetyl-4-(oxiran-2-ylmethoxy)anilino]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-(N-acetyl-4-glycidoxy-anilino)ethyl] ester O5-methyl ester Formula: C29H30F3N3O9 MolecularWeight: 621.55841

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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)OCCN(C3=CC=C(C=C3)OCC4CO4)C(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(CC(C(N1)C(F)(F)F)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCN(C3=CC=C(C=C3)OCC4CO4)C(=O)C)C(=O)OC

InChI

InChI=1S/C29H30F3N3O9/c1-17-24(25(37)41-3)14-28(26(33-17)29(30,31)32,19-4-6-21(7-5-19)35(39)40)27(38)42-13-12-34(18(2)36)20-8-10-22(11-9-20)43-15-23-16-44-23/h4-11,23,26,33H,12-16H2,1-3H3