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

Systemtic Name: (3,5-dimethylcyclohexyl) 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate hydrochloride Openeye Name: (3,5-dimethylcyclohexyl) 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 (3,5-dimethylcyclohexyl) ester hydrochloride IUPAC Name: (3,5-dimethylcyclohexyl) 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 (3,5-dimethylcyclohexyl) ester hydrochloride Formula: C20H30ClN3O3 MolecularWeight: 395.9235

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)OC(=O)CCN2C(N(C(=O)N2)C3=CC=CC=C3)C)C.Cl

Isomeric SMILES

CC1CC(CC(C1)OC(=O)CCN2C(N(C(=O)N2)C3=CC=CC=C3)C)C.Cl

InChI

InChI=1S/C20H29N3O3.ClH/c1-14-11-15(2)13-18(12-14)26-19(24)9-10-22-16(3)23(20(25)21-22)17-7-5-4-6-8-17;/h4-8,14-16,18H,9-13H2,1-3H3,(H,21,25);1H