methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-yl-propyl]-2-methyl-benzoate

Systemtic Name: methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-yl-propyl]-2-methyl-benzoate Openeye Name: methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-yl-propyl]-2-methyl-benzoate CAS Name: 4-[2-(4-fluorophenyl)-3-(1-imidazolyl)propyl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-methylbenzoate Traditional Name: 4-[2-(4-fluorophenyl)-3-imidazol-1-yl-propyl]-2-methyl-benzoic acid methyl ester Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(CN2C=CN=C2)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CC(CN2C=CN=C2)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C21H21FN2O2/c1-15-11-16(3-8-20(15)21(25)26-2)12-18(13-24-10-9-23-14-24)17-4-6-19(22)7-5-17/h3-11,14,18H,12-13H2,1-2H3