[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(4-phenoxyanilino)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenoxyanilino)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-keto-2-(4-phenoxyanilino)ethyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H27NO5/c27-22(26-19-6-8-21(9-7-19)31-20-4-2-1-3-5-20)15-30-23(28)24-11-17-10-18(12-24)14-25(29,13-17)16-24/h1-9,17-18,29H,10-16H2,(H,26,27)/t17-,18+,24?,25?