[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C25H26ClNO3 MolecularWeight: 423.93184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C25H26ClNO3/c26-25-13-17-10-18(14-25)12-24(11-17,16-25)23(29)30-15-22(28)27-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,17-18H,10-16H2,(H,27,28)/t17-,18+,24?,25?