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

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-3-fluoranyl-benzoic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-3-fluoro-benzoic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-3-fluorobenzoic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-3-fluorobenzoic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-3-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=CC=C5F)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=C(C=CC=C5F)C(=O)O)Cl

InChI

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