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

Systemtic Name: pentan-3-yl 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate Openeye Name: 1-ethylpropyl 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 pentan-3-yl ester IUPAC Name: pentan-3-yl 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 1-ethylpropyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)CCN1C(N(C(=O)N1)C2=CC=CC=C2)C

Isomeric SMILES

CCC(CC)OC(=O)CCN1C(N(C(=O)N1)C2=CC=CC=C2)C

InChI

InChI=1S/C17H25N3O3/c1-4-15(5-2)23-16(21)11-12-19-13(3)20(17(22)18-19)14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,18,22)