2,6-dimethyl-4-(3-nitrophenyl)-4-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]pentyl]-1H-pyridine-3,5-dicarboxylate

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-4-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]pentyl]-1H-pyridine-3,5-dicarboxylate Openeye Name: 4-[2-[(2-hydroxy-3-phenoxy-propyl)amino]pentyl]-2,6-dimethyl-4-(3-nitrophenyl)-1H-pyridine-3,5-dicarboxylate CAS Name: 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]pentyl]-2,6-dimethyl-4-(3-nitrophenyl)-1H-pyridine-3,5-dicarboxylate IUPAC Name: 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]pentyl]-2,6-dimethyl-4-(3-nitrophenyl)-1H-pyridine-3,5-dicarboxylate Traditional Name: 4-[2-[(2-hydroxy-3-phenoxy-propyl)amino]pentyl]-2,6-dimethyl-4-(3-nitrophenyl)-1H-pyridine-3,5-dicarboxylate Formula: C29H33N3O8-2 MolecularWeight: 551.58762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1(C(=C(NC(=C1C(=O)[O-])C)C)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])NCC(COC3=CC=CC=C3)O

Isomeric SMILES

CCCC(CC1(C(=C(NC(=C1C(=O)[O-])C)C)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])NCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C29H35N3O8/c1-4-9-21(30-16-23(33)17-40-24-12-6-5-7-13-24)15-29(20-10-8-11-22(14-20)32(38)39)25(27(34)35)18(2)31-19(3)26(29)28(36)37/h5-8,10-14,21,23,30-31,33H,4,9,15-17H2,1-3H3,(H,34,35)(H,36,37)/p-2