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

Systemtic Name: (4-ethylcyclohexyl) 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate Openeye Name: (4-ethylcyclohexyl) 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-ethylcyclohexyl) ester IUPAC Name: (4-ethylcyclohexyl) 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-ethylcyclohexyl) ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)OC(=O)CCN2C(N(C(=O)N2)C3=CC=CC=C3)C

Isomeric SMILES

CCC1CCC(CC1)OC(=O)CCN2C(N(C(=O)N2)C3=CC=CC=C3)C

InChI

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