cyclopentylmethyl 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate

Systemtic Name: cyclopentylmethyl 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate Openeye Name: cyclopentylmethyl 3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoate CAS Name: 3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoic acid cyclopentylmethyl ester IUPAC Name: cyclopentylmethyl 3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoate Traditional Name: 3-(3-keto-5-methyl-4-phenyl-1,2,4-triazolidin-1-yl)propionic acid cyclopentylmethyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(=O)N1C2=CC=CC=C2)CCC(=O)OCC3CCCC3

Isomeric SMILES

CC1N(NC(=O)N1C2=CC=CC=C2)CCC(=O)OCC3CCCC3

InChI

InChI=1S/C18H25N3O3/c1-14-20(12-11-17(22)24-13-15-7-5-6-8-15)19-18(23)21(14)16-9-3-2-4-10-16/h2-4,9-10,14-15H,5-8,11-13H2,1H3,(H,19,23)