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

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolecarboxylic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carboxylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=C(N(C(=C1)C)C2=CC=CC(=C2)C)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=C(N(C(=C1)C)C2=CC=CC(=C2)C)C

InChI

InChI=1S/C23H28N2O3/c1-7-23(8-2,9-3)24-21(26)15-28-22(27)20-14-17(5)25(18(20)6)19-12-10-11-16(4)13-19/h1,10-14H,8-9,15H2,2-6H3,(H,24,26)