2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]oxazole-4-carboxylic acid CAS Name: 2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-4-oxazolecarboxylic acid IUPAC Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]oxazole-4-carboxylic acid Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=NC(=CO5)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=NC(=CO5)C(=O)O)Cl

InChI

InChI=1S/C22H23ClN2O4/c23-17-2-1-15(20-25-18(10-29-20)21(27)28)6-16(17)19(26)24-11-22-7-12-3-13(8-22)5-14(4-12)9-22/h1-2,6,10,12-14H,3-5,7-9,11H2,(H,24,26)(H,27,28)