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

Systemtic Name: (4-methylcyclohexyl) 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate hydrochloride Openeye Name: (4-methylcyclohexyl) 3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoate hydrochloride CAS Name: 3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoic acid (4-methylcyclohexyl) ester hydrochloride IUPAC Name: (4-methylcyclohexyl) 3-(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)propanoate hydrochloride Traditional Name: 3-(3-keto-5-methyl-4-phenyl-1,2,4-triazolidin-1-yl)propionic acid (4-methylcyclohexyl) ester hydrochloride Formula: C19H28ClN3O3 MolecularWeight: 381.89692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3.ClH/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);1H