dimethyl 2-methyl-4-[2-[4-[[3-(2-methylphenoxy)-2-oxidanyl-propyl]amino]butoxy]-5-nitro-phenyl]-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride

Systemtic Name: dimethyl 2-methyl-4-[2-[4-[[3-(2-methylphenoxy)-2-oxidanyl-propyl]amino]butoxy]-5-nitro-phenyl]-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride Openeye Name: dimethyl 4-[2-[4-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitro-phenyl]-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride CAS Name: 4-[2-[4-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 4-[2-[4-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride Traditional Name: 4-[2-[4-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitro-phenyl]-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester hydrochloride Formula: C31H37ClF3N3O9 MolecularWeight: 688.08839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CNCCCCOC2=C(C=C(C=C2)[N+](=O)[O-])C3C(=C(NC(=C3C(=O)OC)C(F)(F)F)C)C(=O)OC)O.Cl

Isomeric SMILES

CC1=CC=CC=C1OCC(CNCCCCOC2=C(C=C(C=C2)[N+](=O)[O-])C3C(=C(NC(=C3C(=O)OC)C(F)(F)F)C)C(=O)OC)O.Cl

InChI

InChI=1S/C31H36F3N3O9.ClH/c1-18-9-5-6-10-23(18)46-17-21(38)16-35-13-7-8-14-45-24-12-11-20(37(41)42)15-22(24)26-25(29(39)43-3)19(2)36-28(31(32,33)34)27(26)30(40)44-4;/h5-6,9-12,15,21,26,35-36,38H,7-8,13-14,16-17H2,1-4H3;1H