methyl 3-[2-butyl-5-chloranyl-3-[(4-iodophenyl)methyl]imidazol-4-yl]-3-oxidanyl-2-(phenylmethyl)propanoate

Systemtic Name: methyl 3-[2-butyl-5-chloranyl-3-[(4-iodophenyl)methyl]imidazol-4-yl]-3-oxidanyl-2-(phenylmethyl)propanoate Openeye Name: methyl 2-benzyl-3-[2-butyl-5-chloro-3-[(4-iodophenyl)methyl]imidazol-4-yl]-3-hydroxy-propanoate CAS Name: 3-[2-butyl-5-chloro-3-[(4-iodophenyl)methyl]-4-imidazolyl]-3-hydroxy-2-(phenylmethyl)propanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-[2-butyl-5-chloro-3-[(4-iodophenyl)methyl]imidazol-4-yl]-3-hydroxypropanoate Traditional Name: 2-benzyl-3-[2-butyl-5-chloro-3-(4-iodobenzyl)imidazol-4-yl]-3-hydroxy-propionic acid methyl ester Formula: C25H28ClIN2O3 MolecularWeight: 566.85889

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)I)C(C(CC3=CC=CC=C3)C(=O)OC)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)I)C(C(CC3=CC=CC=C3)C(=O)OC)O)Cl

InChI

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