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

Systemtic Name: ethyl 4-cyano-5-(2,2-dimethylpropanoylamino)-3-methyl-1-phenyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-cyano-5-(2,2-dimethylpropanoylamino)-3-methyl-1-phenyl-pyrrole-2-carboxylate CAS Name: 4-cyano-5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-1-phenyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(2,2-dimethylpropanoylamino)-3-methyl-1-phenylpyrrole-2-carboxylate Traditional Name: 4-cyano-3-methyl-1-phenyl-5-(pivaloylamino)pyrrole-2-carboxylic acid ethyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-6-26-18(24)16-13(2)15(12-21)17(22-19(25)20(3,4)5)23(16)14-10-8-7-9-11-14/h7-11H,6H2,1-5H3,(H,22,25)