diethyl 2-[1-[6-(diethylcarbamoyl)-5-hexyl-3-phenyl-pyridin-2-yl]ethyl]propanedioate

Systemtic Name: diethyl 2-[1-[6-(diethylcarbamoyl)-5-hexyl-3-phenyl-pyridin-2-yl]ethyl]propanedioate Openeye Name: diethyl 2-[1-[6-(diethylcarbamoyl)-5-hexyl-3-phenyl-2-pyridyl]ethyl]propanedioate CAS Name: 2-[1-[6-[diethylamino(oxo)methyl]-5-hexyl-3-phenyl-2-pyridinyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-[6-(diethylcarbamoyl)-5-hexyl-3-phenylpyridin-2-yl]ethyl]propanedioate Traditional Name: 2-[1-[6-(diethylcarbamoyl)-5-hexyl-3-phenyl-2-pyridyl]ethyl]malonic acid diethyl ester Formula: C31H44N2O5 MolecularWeight: 524.69146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=C(C(=C1)C2=CC=CC=C2)C(C)C(C(=O)OCC)C(=O)OCC)C(=O)N(CC)CC

Isomeric SMILES

CCCCCCC1=C(N=C(C(=C1)C2=CC=CC=C2)C(C)C(C(=O)OCC)C(=O)OCC)C(=O)N(CC)CC

InChI

InChI=1S/C31H44N2O5/c1-7-12-13-15-20-24-21-25(23-18-16-14-17-19-23)27(32-28(24)29(34)33(8-2)9-3)22(6)26(30(35)37-10-4)31(36)38-11-5/h14,16-19,21-22,26H,7-13,15,20H2,1-6H3