3-[[3-[4-(2-cyanophenyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylic acid

Systemtic Name: 3-[[3-[4-(2-cyanophenyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylic acid Openeye Name: 3-[[1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hydroxy-2-oxo-ethyl]carbamoyl]adamantane-1-carboxylic acid CAS Name: 3-[[[3-[4-(2-cyanophenyl)phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[[3-[4-(2-cyanophenyl)phenyl]-1-hydroxy-1-oxopropan-2-yl]carbamoyl]adamantane-1-carboxylic acid Traditional Name: 3-[[1-[4-(2-cyanophenyl)benzyl]-2-hydroxy-2-keto-ethyl]carbamoyl]adamantane-1-carboxylic acid Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)O

InChI

InChI=1S/C28H28N2O5/c29-15-21-3-1-2-4-22(21)20-7-5-17(6-8-20)10-23(24(31)32)30-25(33)27-11-18-9-19(12-27)14-28(13-18,16-27)26(34)35/h1-8,18-19,23H,9-14,16H2,(H,30,33)(H,31,32)(H,34,35)