[4-(phenylcarbamoyl)phenyl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C25H27NO4 MolecularWeight: 405.48618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H27NO4/c27-22(26-21-4-2-1-3-5-21)20-8-6-17(7-9-20)15-30-23(28)24-11-18-10-19(12-24)14-25(29,13-18)16-24/h1-9,18-19,29H,10-16H2,(H,26,27)/t18-,19+,24?,25?