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

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=C2C=CC=C3C2=C(CC3)C=C1

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=C2C=CC=C3C2=C(CC3)C=C1

InChI

InChI=1S/C22H23NO3/c1-4-22(5-2,6-3)23-19(24)14-26-21(25)18-13-12-16-11-10-15-8-7-9-17(18)20(15)16/h1,7-9,12-13H,5-6,10-11,14H2,2-3H3,(H,23,24)