[5-[(4-iodophenyl)methyl]-1H-imidazol-4-yl] 2-chloranyl-3-oxidanyl-2-(1-phenylethyl)heptanoate

Systemtic Name: [5-[(4-iodophenyl)methyl]-1H-imidazol-4-yl] 2-chloranyl-3-oxidanyl-2-(1-phenylethyl)heptanoate Openeye Name: [5-[(4-iodophenyl)methyl]-1H-imidazol-4-yl] 2-chloro-3-hydroxy-2-(1-phenylethyl)heptanoate CAS Name: 2-chloro-3-hydroxy-2-(1-phenylethyl)heptanoic acid [5-[(4-iodophenyl)methyl]-1H-imidazol-4-yl] ester IUPAC Name: [5-[(4-iodophenyl)methyl]-1H-imidazol-4-yl] 2-chloro-3-hydroxy-2-(1-phenylethyl)heptanoate Traditional Name: 2-chloro-3-hydroxy-2-(1-phenylethyl)enanthic acid [5-(4-iodobenzyl)-1H-imidazol-4-yl] ester Formula: C25H28ClIN2O3 MolecularWeight: 566.85889

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(C)C1=CC=CC=C1)(C(=O)OC2=C(NC=N2)CC3=CC=C(C=C3)I)Cl)O

Isomeric SMILES

CCCCC(C(C(C)C1=CC=CC=C1)(C(=O)OC2=C(NC=N2)CC3=CC=C(C=C3)I)Cl)O

InChI

InChI=1S/C25H28ClIN2O3/c1-3-4-10-22(30)25(26,17(2)19-8-6-5-7-9-19)24(31)32-23-21(28-16-29-23)15-18-11-13-20(27)14-12-18/h5-9,11-14,16-17,22,30H,3-4,10,15H2,1-2H3,(H,28,29)