ethyl 4-cyano-5-(2,2-dimethylpropanoylamino)-3-methyl-1-(4-methylphenyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-(2,2-dimethylpropanoylamino)-3-methyl-1-(4-methylphenyl)pyrrole-2-carboxylate Openeye Name: ethyl 4-cyano-5-(2,2-dimethylpropanoylamino)-3-methyl-1-(p-tolyl)pyrrole-2-carboxylate CAS Name: 4-cyano-5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-1-(4-methylphenyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(2,2-dimethylpropanoylamino)-3-methyl-1-(4-methylphenyl)pyrrole-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(pivaloylamino)-1-(p-tolyl)pyrrole-2-carboxylic acid ethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C2=CC=C(C=C2)C)NC(=O)C(C)(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C2=CC=C(C=C2)C)NC(=O)C(C)(C)C)C#N)C

InChI

InChI=1S/C21H25N3O3/c1-7-27-19(25)17-14(3)16(12-22)18(23-20(26)21(4,5)6)24(17)15-10-8-13(2)9-11-15/h8-11H,7H2,1-6H3,(H,23,26)