3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethoxy]benzoic acid CAS Name: 3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzoic acid IUPAC Name: 3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzoic acid Traditional Name: 3-[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethoxy]benzoic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C16H19NO4/c1-4-16(5-2,6-3)17-14(18)11-21-13-9-7-8-12(10-13)15(19)20/h1,7-10H,5-6,11H2,2-3H3,(H,17,18)(H,19,20)