[3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazol-4-yl]methyl 3-(3-hydroxyphenyl)propanoate

Systemtic Name: [3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazol-4-yl]methyl 3-(3-hydroxyphenyl)propanoate Openeye Name: [3-[(4-cyano-3-fluoro-phenyl)methyl]imidazol-4-yl]methyl 3-(3-hydroxyphenyl)propanoate CAS Name: 3-(3-hydroxyphenyl)propanoic acid [3-[(4-cyano-3-fluorophenyl)methyl]-4-imidazolyl]methyl ester IUPAC Name: [3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]methyl 3-(3-hydroxyphenyl)propanoate Traditional Name: 3-(3-hydroxyphenyl)propionic acid [3-(4-cyano-3-fluoro-benzyl)imidazol-4-yl]methyl ester Formula: C21H18FN3O3 MolecularWeight: 379.384323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CCC(=O)OCC2=CN=CN2CC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

C1=CC(=CC(=C1)O)CCC(=O)OCC2=CN=CN2CC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C21H18FN3O3/c22-20-9-16(4-6-17(20)10-23)12-25-14-24-11-18(25)13-28-21(27)7-5-15-2-1-3-19(26)8-15/h1-4,6,8-9,11,14,26H,5,7,12-13H2