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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(=O)N1C2=CC=CC=C2)CCC(=O)OCCC3CCCCC3.Cl

Isomeric SMILES

CC1N(NC(=O)N1C2=CC=CC=C2)CCC(=O)OCCC3CCCCC3.Cl

InChI

InChI=1S/C20H29N3O3.ClH/c1-16-22(21-20(25)23(16)18-10-6-3-7-11-18)14-12-19(24)26-15-13-17-8-4-2-5-9-17;/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3,(H,21,25);1H