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

Systemtic Name: (4-methylcyclohexyl) 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate Openeye Name: (4-methylcyclohexyl) 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 (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 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 (4-methylcyclohexyl) ester Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)CCN2C(N(C(=O)N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1CCC(CC1)OC(=O)CCN2C(N(C(=O)N2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H27N3O3/c1-14-8-10-17(11-9-14)25-18(23)12-13-21-15(2)22(19(24)20-21)16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,20,24)