O5-hexyl O3-[1-(pyridin-3-ylmethyl)piperidin-3-yl] 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-hexyl O3-[1-(pyridin-3-ylmethyl)piperidin-3-yl] 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-hexyl O3-[1-(3-pyridylmethyl)-3-piperidyl] 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-hexyl ester O3-[1-(3-pyridinylmethyl)-3-piperidinyl] ester IUPAC Name: 5-O-hexyl 3-O-[1-(pyridin-3-ylmethyl)piperidin-3-yl] 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-hexyl ester O3-[1-(3-pyridylmethyl)-3-piperidyl] ester Formula: C31H39N5O6 MolecularWeight: 577.67126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCN(C3)CC4=CN=CC=C4)N)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCN(C3)CC4=CN=CC=C4)N)C

InChI

InChI=1S/C31H39N5O6/c1-3-4-5-6-16-41-30(37)26-21(2)34-29(32)28(27(26)23-11-7-12-24(17-23)36(39)40)31(38)42-25-13-9-15-35(20-25)19-22-10-8-14-33-18-22/h7-8,10-12,14,17-18,25,27,34H,3-6,9,13,15-16,19-20,32H2,1-2H3