ethyl 3-[5-(4-cyanophenyl)carbonyl-1-(3-methylbutyl)pyrrol-2-yl]propanoate

Systemtic Name: ethyl 3-[5-(4-cyanophenyl)carbonyl-1-(3-methylbutyl)pyrrol-2-yl]propanoate Openeye Name: ethyl 3-[5-(4-cyanobenzoyl)-1-isopentyl-pyrrol-2-yl]propanoate CAS Name: 3-[5-[(4-cyanophenyl)-oxomethyl]-1-(3-methylbutyl)-2-pyrrolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(4-cyanobenzoyl)-1-(3-methylbutyl)pyrrol-2-yl]propanoate Traditional Name: 3-[5-(4-cyanobenzoyl)-1-isoamyl-pyrrol-2-yl]propionic acid ethyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(N1CCC(C)C)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)CCC1=CC=C(N1CCC(C)C)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H26N2O3/c1-4-27-21(25)12-10-19-9-11-20(24(19)14-13-16(2)3)22(26)18-7-5-17(15-23)6-8-18/h5-9,11,16H,4,10,12-14H2,1-3H3