O5-[1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]propan-2-yl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]propan-2-yl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-1-methyl-ethyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]propan-2-yl] ester O3-methyl ester IUPAC Name: 5-O-[1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]propan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-1-methyl-ethyl] ester O3-methyl ester Formula: C29H33N3O8 MolecularWeight: 551.58762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)CN(C)CC2COC3=CC=CC=C3O2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)CN(C)CC2COC3=CC=CC=C3O2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C29H33N3O8/c1-17(14-31(4)15-22-16-38-23-11-6-7-12-24(23)40-22)39-29(34)26-19(3)30-18(2)25(28(33)37-5)27(26)20-9-8-10-21(13-20)32(35)36/h6-13,17,22,27,30H,14-16H2,1-5H3