O3-hexyl O5-methyl 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: O3-hexyl O5-methyl 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: O3-hexyl O5-methyl 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 O3-hexyl ester O5-methyl ester dihydrochloride IUPAC Name: 3-O-hexyl 5-O-methyl 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 O3-hexyl ester O5-methyl ester dihydrochloride Formula: C34H47Cl2F3N4O8 MolecularWeight: 767.66019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=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

CCCCCCOC(=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/C34H45F3N4O8.2ClH/c1-6-7-8-9-18-48-32(44)33(24-10-14-26(15-11-24)41(45)46)19-29(30(43)47-5)23(4)40(31(33)34(35,36)37)39-25-12-16-28(17-13-25)49-21-27(42)20-38-22(2)3;;/h10-17,22,27,31,38-39,42H,6-9,18-21H2,1-5H3;2*1H