[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C=CC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)/C=C/C1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C21H22N2O3/c1-4-21(5-2,6-3)23-18(24)15-26-19(25)13-12-17-10-7-9-16-11-8-14-22-20(16)17/h1,7-14H,5-6,15H2,2-3H3,(H,23,24)/b13-12+