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

Systemtic Name: 3-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]phenoxy]propanoic acid Openeye Name: 3-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]phenoxy]propanoic acid CAS Name: 3-[2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]phenoxy]propanoic acid IUPAC Name: 3-[2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]phenoxy]propanoic acid Traditional Name: 3-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]phenoxy]propionic acid Formula: C27H30ClNO4 MolecularWeight: 467.9844

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=CC=CC=C5OCCC(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=CC=CC=C5OCCC(=O)O)Cl

InChI

InChI=1S/C27H30ClNO4/c28-23-6-5-20(21-3-1-2-4-24(21)33-8-7-25(30)31)12-22(23)26(32)29-16-27-13-17-9-18(14-27)11-19(10-17)15-27/h1-6,12,17-19H,7-11,13-16H2,(H,29,32)(H,30,31)