2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-fluoranyl-benzoic acid

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-fluoranyl-benzoic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-fluoro-benzoic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-5-fluorobenzoic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-5-fluorobenzoic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-fluoro-benzoic acid Formula: C25H25ClFNO3 MolecularWeight: 441.922303

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=C(C=C(C=C5)F)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=C(C=C(C=C5)F)C(=O)O)Cl

InChI

InChI=1S/C25H25ClFNO3/c26-22-4-1-17(19-3-2-18(27)9-20(19)24(30)31)8-21(22)23(29)28-13-25-10-14-5-15(11-25)7-16(6-14)12-25/h1-4,8-9,14-16H,5-7,10-13H2,(H,28,29)(H,30,31)