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

Systemtic Name: (4-methoxycyclohexyl) 3-(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)propanoate Openeye Name: (4-methoxycyclohexyl) 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-methoxycyclohexyl) ester IUPAC Name: (4-methoxycyclohexyl) 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-methoxycyclohexyl) ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(=O)N1C2=CC=CC=C2)CCC(=O)OC3CCC(CC3)OC

Isomeric SMILES

CC1N(NC(=O)N1C2=CC=CC=C2)CCC(=O)OC3CCC(CC3)OC

InChI

InChI=1S/C19H27N3O4/c1-14-21(20-19(24)22(14)15-6-4-3-5-7-15)13-12-18(23)26-17-10-8-16(25-2)9-11-17/h3-7,14,16-17H,8-13H2,1-2H3,(H,20,24)