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

Systemtic Name: 2-[4-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]phenoxy]acetic acid CAS Name: 2-[4-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]phenoxy]acetic acid IUPAC Name: 2-[4-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]phenoxy]acetic acid Traditional Name: 2-[4-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]phenoxy]acetic acid Formula: C26H28ClNO4 MolecularWeight: 453.95782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClNO4/c27-23-6-3-20(19-1-4-21(5-2-19)32-14-24(29)30)10-22(23)25(31)28-15-26-11-16-7-17(12-26)9-18(8-16)13-26/h1-6,10,16-18H,7-9,11-15H2,(H,28,31)(H,29,30)