ethyl 1-[2-[[4-(2-cyanopropan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(2-cyanopropan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[4-(1-cyano-1-methyl-ethyl)anilino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[4-(2-cyanopropan-2-yl)anilino]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(2-cyanopropan-2-yl)anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[4-(1-cyano-1-methyl-ethyl)anilino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=C(C=C2)C(C)(C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=C(C=C2)C(C)(C)C#N)C

InChI

InChI=1S/C21H25N3O3/c1-6-27-20(26)18-11-14(2)24(15(18)3)12-19(25)23-17-9-7-16(8-10-17)21(4,5)13-22/h7-11H,6,12H2,1-5H3,(H,23,25)