O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methyl-propan-2-yl] O3-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrate dihydrochloride

Systemtic Name: O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methyl-propan-2-yl] O3-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrate dihydrochloride Openeye Name: O5-[2-[3,3-diphenylpropyl(methyl)amino]-1,1-dimethyl-ethyl] O3-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrate dihydrochloride CAS Name: 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] ester O3-methyl ester hydrate dihydrochloride IUPAC Name: 5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrate dihydrochloride Traditional Name: 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-[3,3-diphenylpropyl(methyl)amino]-1,1-dimethyl-ethyl] ester O3-methyl ester hydrate dihydrochloride Formula: C70H82Cl2N6O13 MolecularWeight: 1286.33848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=CN1)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.CC1=C(C(C(=CN1)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.O.Cl.Cl

Isomeric SMILES

CC1=C(C(C(=CN1)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.CC1=C(C(C(=CN1)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.O.Cl.Cl

InChI

InChI=1S/2C35H39N3O6.2ClH.H2O/c2*1-24-31(34(40)43-5)32(27-17-12-18-28(21-27)38(41)42)30(22-36-24)33(39)44-35(2,3)23-37(4)20-19-29(25-13-8-6-9-14-25)26-15-10-7-11-16-26;;;/h2*6-18,21-22,29,32,36H,19-20,23H2,1-5H3;2*1H;1H2