[4-[(3-butan-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,5-dimethyl-cyclohexyl]methyl ethanoate

Systemtic Name: [4-[(3-butan-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,5-dimethyl-cyclohexyl]methyl ethanoate Openeye Name: [3,5-dimethyl-4-[(3-sec-butyl-1H-1,2,4-triazol-5-yl)methyl]cyclohexyl]methyl acetate CAS Name: acetic acid [4-[(3-butan-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,5-dimethylcyclohexyl]methyl ester IUPAC Name: [4-[(3-butan-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,5-dimethylcyclohexyl]methyl acetate Traditional Name: acetic acid [3,5-dimethyl-4-[(3-sec-butyl-1H-1,2,4-triazol-5-yl)methyl]cyclohexyl]methyl ester Formula: C18H31N3O2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NNC(=N1)CC2C(CC(CC2C)COC(=O)C)C

Isomeric SMILES

CCC(C)C1=NNC(=N1)CC2C(CC(CC2C)COC(=O)C)C

InChI

InChI=1S/C18H31N3O2/c1-6-11(2)18-19-17(20-21-18)9-16-12(3)7-15(8-13(16)4)10-23-14(5)22/h11-13,15-16H,6-10H2,1-5H3,(H,19,20,21)