O1-methyl O4-(2,4,6-trimethylcyclohexyl) 2-cyano-3-(5-methyl-1H-1,2,4-triazol-3-yl)butanedioate

Systemtic Name: O1-methyl O4-(2,4,6-trimethylcyclohexyl) 2-cyano-3-(5-methyl-1H-1,2,4-triazol-3-yl)butanedioate Openeye Name: O1-methyl O4-(2,4,6-trimethylcyclohexyl) 2-cyano-3-(5-methyl-1H-1,2,4-triazol-3-yl)butanedioate CAS Name: 2-cyano-3-(5-methyl-1H-1,2,4-triazol-3-yl)butanedioic acid O1-methyl ester O4-(2,4,6-trimethylcyclohexyl) ester IUPAC Name: 1-O-methyl 4-O-(2,4,6-trimethylcyclohexyl) 2-cyano-3-(5-methyl-1H-1,2,4-triazol-3-yl)butanedioate Traditional Name: 2-cyano-3-(5-methyl-1H-1,2,4-triazol-3-yl)succinic acid O1-methyl ester O4-(2,4,6-trimethylcyclohexyl) ester Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C)OC(=O)C(C2=NNC(=N2)C)C(C#N)C(=O)OC)C

Isomeric SMILES

CC1CC(C(C(C1)C)OC(=O)C(C2=NNC(=N2)C)C(C#N)C(=O)OC)C

InChI

InChI=1S/C18H26N4O4/c1-9-6-10(2)15(11(3)7-9)26-18(24)14(13(8-19)17(23)25-5)16-20-12(4)21-22-16/h9-11,13-15H,6-7H2,1-5H3,(H,20,21,22)