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

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-5-17(6-2,7-3)19-14(20)11-22-16(21)13-10-8-9-12(4)15(13)18/h1,8-10H,6-7,11,18H2,2-4H3,(H,19,20)