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

Systemtic Name: 2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]phenyl]ethanoic acid Openeye Name: 2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]phenyl]acetic acid CAS Name: 2-[2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]phenyl]acetic acid IUPAC Name: 2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]phenyl]acetic acid Traditional Name: 2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]phenyl]acetic acid Formula: C26H28ClNO3 MolecularWeight: 437.95842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=CC=CC=C5CC(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=CC=CC=C5CC(=O)O)Cl

InChI

InChI=1S/C26H28ClNO3/c27-23-6-5-20(21-4-2-1-3-19(21)11-24(29)30)10-22(23)25(31)28-15-26-12-16-7-17(13-26)9-18(8-16)14-26/h1-6,10,16-18H,7-9,11-15H2,(H,28,31)(H,29,30)