methyl 6-azanyl-2,6-dimethyl-1-(3-methylbutanoyl)-5-[4-(3-nitrophenyl)pyridin-3-yl]carbonyl-4-phenyl-piperidine-3-carboxylate

Systemtic Name: methyl 6-azanyl-2,6-dimethyl-1-(3-methylbutanoyl)-5-[4-(3-nitrophenyl)pyridin-3-yl]carbonyl-4-phenyl-piperidine-3-carboxylate Openeye Name: methyl 6-amino-2,6-dimethyl-1-(3-methylbutanoyl)-5-[4-(3-nitrophenyl)pyridine-3-carbonyl]-4-phenyl-piperidine-3-carboxylate CAS Name: 6-amino-2,6-dimethyl-1-(3-methyl-1-oxobutyl)-5-[[4-(3-nitrophenyl)-3-pyridinyl]-oxomethyl]-4-phenyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 6-amino-2,6-dimethyl-1-(3-methylbutanoyl)-5-[4-(3-nitrophenyl)pyridine-3-carbonyl]-4-phenylpiperidine-3-carboxylate Traditional Name: 6-amino-1-isovaleryl-2,6-dimethyl-5-[4-(3-nitrophenyl)nicotinoyl]-4-phenyl-nipecotic acid methyl ester Formula: C32H36N4O6 MolecularWeight: 572.65144

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(N1C(=O)CC(C)C)(C)N)C(=O)C2=C(C=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1C(C(C(C(N1C(=O)CC(C)C)(C)N)C(=O)C2=C(C=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C32H36N4O6/c1-19(2)16-26(37)35-20(3)27(31(39)42-5)28(21-10-7-6-8-11-21)29(32(35,4)33)30(38)25-18-34-15-14-24(25)22-12-9-13-23(17-22)36(40)41/h6-15,17-20,27-29H,16,33H2,1-5H3