methyl 4-[2-(4-fluorophenyl)-3-(5-methylimidazol-1-yl)propyl]-2-phenyl-benzoate

Systemtic Name: methyl 4-[2-(4-fluorophenyl)-3-(5-methylimidazol-1-yl)propyl]-2-phenyl-benzoate Openeye Name: methyl 4-[2-(4-fluorophenyl)-3-(5-methylimidazol-1-yl)propyl]-2-phenyl-benzoate CAS Name: 4-[2-(4-fluorophenyl)-3-(5-methyl-1-imidazolyl)propyl]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-fluorophenyl)-3-(5-methylimidazol-1-yl)propyl]-2-phenylbenzoate Traditional Name: 4-[2-(4-fluorophenyl)-3-(5-methylimidazol-1-yl)propyl]-2-phenyl-benzoic acid methyl ester Formula: C27H25FN2O2 MolecularWeight: 428.498003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CN1CC(CC2=CC(=C(C=C2)C(=O)OC)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CN=CN1CC(CC2=CC(=C(C=C2)C(=O)OC)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H25FN2O2/c1-19-16-29-18-30(19)17-23(21-9-11-24(28)12-10-21)14-20-8-13-25(27(31)32-2)26(15-20)22-6-4-3-5-7-22/h3-13,15-16,18,23H,14,17H2,1-2H3