[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-5-17(6-2,7-3)18-15(20)11-22-16(21)13-10-12(4)8-9-14(13)19/h1,8-10,19H,6-7,11H2,2-4H3,(H,18,20)