[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=NC=N2

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=NC=N2

InChI

InChI=1S/C19H26N4O3/c1-14(2)5-4-6-15(3)22-18(24)11-26-19(25)16-7-9-17(10-8-16)23-13-20-12-21-23/h7-10,12-15H,4-6,11H2,1-3H3,(H,22,24)