[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-5-17(6-2,7-3)18-14(19)11-23-16(21)12-9-8-10-13(22-4)15(12)20/h1,8-10,20H,6-7,11H2,2-4H3,(H,18,19)