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

Systemtic Name: 1-cyclohexyloxycarbonyloxyethyl 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate hydrochloride Openeye Name: 1-(cyclohexoxycarbonyloxy)ethyl 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 1-[cyclohexyloxy(oxo)methoxy]ethyl ester hydrochloride IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl 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 1-(cyclohexoxycarbonyloxy)ethyl ester hydrochloride Formula: C21H30ClN3O6 MolecularWeight: 455.9324

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(=O)N1C2=CC=CC=C2)CCC(=O)OC(C)OC(=O)OC3CCCCC3.Cl

Isomeric SMILES

CC1N(NC(=O)N1C2=CC=CC=C2)CCC(=O)OC(C)OC(=O)OC3CCCCC3.Cl

InChI

InChI=1S/C21H29N3O6.ClH/c1-15-23(22-20(26)24(15)17-9-5-3-6-10-17)14-13-19(25)28-16(2)29-21(27)30-18-11-7-4-8-12-18;/h3,5-6,9-10,15-16,18H,4,7-8,11-14H2,1-2H3,(H,22,26);1H