[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C17H18N2O3/c1-4-17(5-2,6-3)19-15(20)12-22-16(21)14-9-7-8-13(10-14)11-18/h1,7-10H,5-6,12H2,2-3H3,(H,19,20)