methyl (2S)-1-[5-(butylcarbamoyl)-1-cyclohexyl-4-oxidanylidene-pyridin-3-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[5-(butylcarbamoyl)-1-cyclohexyl-4-oxidanylidene-pyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[5-(butylcarbamoyl)-1-cyclohexyl-4-oxo-pyridine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[5-[butylamino(oxo)methyl]-1-cyclohexyl-4-oxo-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[5-(butylcarbamoyl)-1-cyclohexyl-4-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[5-(butylcarbamoyl)-1-cyclohexyl-4-keto-nicotinoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCCC2C(=O)OC)C3CCCCC3

Isomeric SMILES

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCC[C@H]2C(=O)OC)C3CCCCC3

InChI

InChI=1S/C23H33N3O5/c1-3-4-12-24-21(28)17-14-25(16-9-6-5-7-10-16)15-18(20(17)27)22(29)26-13-8-11-19(26)23(30)31-2/h14-16,19H,3-13H2,1-2H3,(H,24,28)/t19-/m0/s1