methyl 5-[[2-butyl-4-chloranyl-5-[(E)-3-oxidanylidenebut-1-enyl]imidazol-1-yl]methyl]-2-phenyl-benzoate

Systemtic Name: methyl 5-[[2-butyl-4-chloranyl-5-[(E)-3-oxidanylidenebut-1-enyl]imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: methyl 5-[[2-butyl-4-chloro-5-[(E)-3-oxobut-1-enyl]imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-chloro-5-[(E)-3-oxobut-1-enyl]-1-imidazolyl]methyl]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 5-[[2-butyl-4-chloro-5-[(E)-3-oxobut-1-enyl]imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[[2-butyl-4-chloro-5-[(E)-3-ketobut-1-enyl]imidazol-1-yl]methyl]-2-phenyl-benzoic acid methyl ester Formula: C26H27ClN2O3 MolecularWeight: 450.95718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC)C=CC(=O)C)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC)/C=C/C(=O)C)Cl

InChI

InChI=1S/C26H27ClN2O3/c1-4-5-11-24-28-25(27)23(15-12-18(2)30)29(24)17-19-13-14-21(20-9-7-6-8-10-20)22(16-19)26(31)32-3/h6-10,12-16H,4-5,11,17H2,1-3H3/b15-12+