[2-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)-3H-1,2,4-triazol-4-yl]methyl dodecanoate

Systemtic Name: [2-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)-3H-1,2,4-triazol-4-yl]methyl dodecanoate Openeye Name: [2-(1,1-dimethyl-2-oxo-2-phenyl-ethyl)-3H-1,2,4-triazol-4-yl]methyl dodecanoate CAS Name: dodecanoic acid [2-(2-methyl-1-oxo-1-phenylpropan-2-yl)-3H-1,2,4-triazol-4-yl]methyl ester IUPAC Name: [2-(2-methyl-1-oxo-1-phenylpropan-2-yl)-3H-1,2,4-triazol-4-yl]methyl dodecanoate Traditional Name: lauric acid [2-(2-keto-1,1-dimethyl-2-phenyl-ethyl)-3H-1,2,4-triazol-4-yl]methyl ester Formula: C25H39N3O3 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCN1CN(N=C1)C(C)(C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)OCN1CN(N=C1)C(C)(C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H39N3O3/c1-4-5-6-7-8-9-10-11-15-18-23(29)31-21-27-19-26-28(20-27)25(2,3)24(30)22-16-13-12-14-17-22/h12-14,16-17,19H,4-11,15,18,20-21H2,1-3H3