[2-butyl-3-[(4-iodophenyl)methyl]imidazol-4-yl]methyl ethanoate

Systemtic Name: [2-butyl-3-[(4-iodophenyl)methyl]imidazol-4-yl]methyl ethanoate Openeye Name: [2-butyl-3-[(4-iodophenyl)methyl]imidazol-4-yl]methyl acetate CAS Name: acetic acid [2-butyl-3-[(4-iodophenyl)methyl]-4-imidazolyl]methyl ester IUPAC Name: [2-butyl-3-[(4-iodophenyl)methyl]imidazol-4-yl]methyl acetate Traditional Name: acetic acid [2-butyl-3-(4-iodobenzyl)imidazol-4-yl]methyl ester Formula: C17H21IN2O2 MolecularWeight: 412.26531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)I)COC(=O)C

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)I)COC(=O)C

InChI

InChI=1S/C17H21IN2O2/c1-3-4-5-17-19-10-16(12-22-13(2)21)20(17)11-14-6-8-15(18)9-7-14/h6-10H,3-5,11-12H2,1-2H3