methyl 2-fluoranyl-6-[3-fluoranyl-4-[(4-imidazol-1-ylbutanoylamino)methyl]phenyl]benzoate

Systemtic Name: methyl 2-fluoranyl-6-[3-fluoranyl-4-[(4-imidazol-1-ylbutanoylamino)methyl]phenyl]benzoate Openeye Name: methyl 2-fluoro-6-[3-fluoro-4-[(4-imidazol-1-ylbutanoylamino)methyl]phenyl]benzoate CAS Name: 2-fluoro-6-[3-fluoro-4-[[[4-(1-imidazolyl)-1-oxobutyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-6-[3-fluoro-4-[(4-imidazol-1-ylbutanoylamino)methyl]phenyl]benzoate Traditional Name: 2-fluoro-6-[3-fluoro-4-[(4-imidazol-1-ylbutanoylamino)methyl]phenyl]benzoic acid methyl ester Formula: C22H21F2N3O3 MolecularWeight: 413.417246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)CCCN3C=CN=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)CCCN3C=CN=C3)F

InChI

InChI=1S/C22H21F2N3O3/c1-30-22(29)21-17(4-2-5-18(21)23)15-7-8-16(19(24)12-15)13-26-20(28)6-3-10-27-11-9-25-14-27/h2,4-5,7-9,11-12,14H,3,6,10,13H2,1H3,(H,26,28)