[2-butyl-5-chloranyl-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazol-4-yl]methyl ethanoate

Systemtic Name: [2-butyl-5-chloranyl-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazol-4-yl]methyl ethanoate Openeye Name: [2-butyl-5-chloro-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazol-4-yl]methyl acetate CAS Name: acetic acid [2-butyl-5-chloro-3-[[4-(2-cyano-1-pyrrolyl)phenyl]methyl]-4-imidazolyl]methyl ester IUPAC Name: [2-butyl-5-chloro-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazol-4-yl]methyl acetate Traditional Name: acetic acid [2-butyl-5-chloro-3-[4-(2-cyanopyrrol-1-yl)benzyl]imidazol-4-yl]methyl ester Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C=CC=C3C#N)COC(=O)C)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C=CC=C3C#N)COC(=O)C)Cl

InChI

InChI=1S/C22H23ClN4O2/c1-3-4-7-21-25-22(23)20(15-29-16(2)28)27(21)14-17-8-10-18(11-9-17)26-12-5-6-19(26)13-24/h5-6,8-12H,3-4,7,14-15H2,1-2H3