methyl (5S)-5-(benzotriazol-1-yl)-5-(butylcarbamoyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (5S)-5-(benzotriazol-1-yl)-5-(butylcarbamoyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (5S)-5-(benzotriazol-1-yl)-5-(butylcarbamoyl)-2-oxo-cyclohexanecarboxylate CAS Name: (5S)-5-(1-benzotriazolyl)-5-[butylamino(oxo)methyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (5S)-5-(benzotriazol-1-yl)-5-(butylcarbamoyl)-2-oxocyclohexane-1-carboxylate Traditional Name: (5S)-5-(benzotriazol-1-yl)-5-(butylcarbamoyl)-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1(CCC(=O)C(C1)C(=O)OC)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCNC(=O)[C@@]1(CCC(=O)C(C1)C(=O)OC)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H24N4O4/c1-3-4-11-20-18(26)19(10-9-16(24)13(12-19)17(25)27-2)23-15-8-6-5-7-14(15)21-22-23/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,26)/t13?,19-/m0/s1