[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C21H28N2O3/c1-6-7-15(3)22-20(24)13-26-21(25)19-12-16(4)23(17(19)5)18-10-8-14(2)9-11-18/h8-12,15H,6-7,13H2,1-5H3,(H,22,24)