ethyl 2-[4-butyl-5-(4-cyanophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-butyl-5-(4-cyanophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoate Openeye Name: ethyl 2-[4-butyl-5-(4-cyanobenzoyl)-1-methyl-pyrrol-2-yl]acetate CAS Name: 2-[4-butyl-5-[(4-cyanophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-butyl-5-(4-cyanobenzoyl)-1-methylpyrrol-2-yl]acetate Traditional Name: 2-[4-butyl-5-(4-cyanobenzoyl)-1-methyl-pyrrol-2-yl]acetic acid ethyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=C1)CC(=O)OCC)C)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC1=C(N(C(=C1)CC(=O)OCC)C)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H24N2O3/c1-4-6-7-17-12-18(13-19(24)26-5-2)23(3)20(17)21(25)16-10-8-15(14-22)9-11-16/h8-12H,4-7,13H2,1-3H3