4-(3,4-diphenylpiperidin-1-yl)-2,6-dimethyl-4-(3-nitrophenyl)-5-propoxycarbonyl-1H-pyridine-3-carboxylate

Systemtic Name: 4-(3,4-diphenylpiperidin-1-yl)-2,6-dimethyl-4-(3-nitrophenyl)-5-propoxycarbonyl-1H-pyridine-3-carboxylate Openeye Name: 4-(3,4-diphenyl-1-piperidyl)-2,6-dimethyl-4-(3-nitrophenyl)-5-propoxycarbonyl-1H-pyridine-3-carboxylate CAS Name: 4-(3,4-diphenyl-1-piperidinyl)-2,6-dimethyl-4-(3-nitrophenyl)-5-[oxo(propoxy)methyl]-1H-pyridine-3-carboxylate IUPAC Name: 4-(3,4-diphenylpiperidin-1-yl)-2,6-dimethyl-4-(3-nitrophenyl)-5-propoxycarbonyl-1H-pyridine-3-carboxylate Traditional Name: 4-(3,4-diphenylpiperidino)-2,6-dimethyl-4-(3-nitrophenyl)-5-propoxycarbonyl-1H-pyridine-3-carboxylate Formula: C35H36N3O6- MolecularWeight: 594.67684

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC(=C(C1(C2=CC(=CC=C2)[N+](=O)[O-])N3CCC(C(C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-])C)C

Isomeric SMILES

CCCOC(=O)C1=C(NC(=C(C1(C2=CC(=CC=C2)[N+](=O)[O-])N3CCC(C(C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-])C)C

InChI

InChI=1S/C35H37N3O6/c1-4-20-44-34(41)32-24(3)36-23(2)31(33(39)40)35(32,27-16-11-17-28(21-27)38(42)43)37-19-18-29(25-12-7-5-8-13-25)30(22-37)26-14-9-6-10-15-26/h5-17,21,29-30,36H,4,18-20,22H2,1-3H3,(H,39,40)/p-1