[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c1-12(2)7-8-19-17(25)21-15(23)9-26-16(24)13-3-5-14(6-4-13)22-11-18-10-20-22/h3-6,10-12H,7-9H2,1-2H3,(H2,19,21,23,25)