[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylbutanoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylbutanoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCC(=O)NC1=C(C(=C(N1C2=CC=CC=C2)C)C)C#N

Isomeric SMILES

CCC(C)C(=O)OCC(=O)NC1=C(C(=C(N1C2=CC=CC=C2)C)C)C#N

InChI

InChI=1S/C20H23N3O3/c1-5-13(2)20(25)26-12-18(24)22-19-17(11-21)14(3)15(4)23(19)16-9-7-6-8-10-16/h6-10,13H,5,12H2,1-4H3,(H,22,24)