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

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-5-chloranyl-benzoic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-chloro-benzoic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-5-chlorobenzoic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-5-chlorobenzoic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-5-chloro-benzoic acid Formula: C25H25Cl2NO3 MolecularWeight: 458.3769

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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)Cl)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H25Cl2NO3/c26-18-2-3-19(20(9-18)24(30)31)17-1-4-22(27)21(8-17)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)