[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-6-20(7-2,8-3)23-18(26)12-28-19(27)15-9-16(21-13(4)24)11-17(10-15)22-14(5)25/h1,9-11H,7-8,12H2,2-5H3,(H,21,24)(H,22,25)(H,23,26)