O5-(2,2-dimethyl-3-piperazin-1-yl-propyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride

Systemtic Name: O5-(2,2-dimethyl-3-piperazin-1-yl-propyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride Openeye Name: O5-(2,2-dimethyl-3-piperazin-1-yl-propyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2,2-dimethyl-3-(1-piperazinyl)propyl] ester O3-methyl ester dihydrochloride IUPAC Name: 5-O-(2,2-dimethyl-3-piperazin-1-ylpropyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2,2-dimethyl-3-piperazino-propyl) ester O3-methyl ester dihydrochloride Formula: C25H36Cl2N4O6 MolecularWeight: 559.48254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN2CCNCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl.Cl

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN2CCNCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl.Cl

InChI

InChI=1S/C25H34N4O6.2ClH/c1-16-20(23(30)34-5)22(18-7-6-8-19(13-18)29(32)33)21(17(2)27-16)24(31)35-15-25(3,4)14-28-11-9-26-10-12-28;;/h6-8,13,22,26-27H,9-12,14-15H2,1-5H3;2*1H