O5-methyl O3-propyl 6-methyl-3-(4-nitrophenyl)-1-[[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]amino]-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylate dihydrochloride

Systemtic Name: O5-methyl O3-propyl 6-methyl-3-(4-nitrophenyl)-1-[[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]amino]-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylate dihydrochloride Openeye Name: O5-methyl O3-propyl 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]anilino]-6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylate dihydrochloride CAS Name: 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylic acid O5-methyl ester O3-propyl ester dihydrochloride IUPAC Name: 5-O-methyl 3-O-propyl 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylate dihydrochloride Traditional Name: 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]anilino]-6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylic acid O5-methyl ester O3-propyl ester dihydrochloride Formula: C31H41Cl2F3N4O8 MolecularWeight: 725.58045

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1(CC(=C(N(C1C(F)(F)F)NC2=CC=C(C=C2)OCC(CNC(C)C)O)C)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CCCOC(=O)C1(CC(=C(N(C1C(F)(F)F)NC2=CC=C(C=C2)OCC(CNC(C)C)O)C)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C31H39F3N4O8.2ClH/c1-6-15-45-29(41)30(21-7-11-23(12-8-21)38(42)43)16-26(27(40)44-5)20(4)37(28(30)31(32,33)34)36-22-9-13-25(14-10-22)46-18-24(39)17-35-19(2)3;;/h7-14,19,24,28,35-36,39H,6,15-18H2,1-5H3;2*1H