(2S,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate

Systemtic Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Openeye Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate CAS Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)-3-pyrrolidinecarboximidate IUPAC Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Traditional Name: (2S,3R)-1-butyl-5-keto-2-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Formula: C18H22N5O3- MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CC1=O)C(=NC2=NC=NN2)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1[C@@H]([C@@H](CC1=O)C(=NC2=NC=NN2)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H23N5O3/c1-3-4-9-23-15(24)10-14(17(25)21-18-19-11-20-22-18)16(23)12-5-7-13(26-2)8-6-12/h5-8,11,14,16H,3-4,9-10H2,1-2H3,(H2,19,20,21,22,25)/p-1/t14-,16-/m1/s1