ethyl 4-(3-butan-2-yl-4-cyano-2-methyl-pyrrol-1-yl)benzoate

Systemtic Name: ethyl 4-(3-butan-2-yl-4-cyano-2-methyl-pyrrol-1-yl)benzoate Openeye Name: ethyl 4-(4-cyano-2-methyl-3-sec-butyl-pyrrol-1-yl)benzoate CAS Name: 4-(3-butan-2-yl-4-cyano-2-methyl-1-pyrrolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-butan-2-yl-4-cyano-2-methylpyrrol-1-yl)benzoate Traditional Name: 4-(4-cyano-2-methyl-3-sec-butyl-pyrrol-1-yl)benzoic acid ethyl ester Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(N(C=C1C#N)C2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCC(C)C1=C(N(C=C1C#N)C2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C19H22N2O2/c1-5-13(3)18-14(4)21(12-16(18)11-20)17-9-7-15(8-10-17)19(22)23-6-2/h7-10,12-13H,5-6H2,1-4H3