[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)CN2C=NC=N2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)CN2C=NC=N2

InChI

InChI=1S/C17H22N4O3/c1-3-15(4-2)20-16(22)10-24-17(23)14-7-5-13(6-8-14)9-21-12-18-11-19-21/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,20,22)