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

Systemtic Name: [2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-oxo-2-(4-phenylanilino)ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-oxo-2-(4-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylanilino)ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-keto-2-(4-phenylanilino)ethyl] ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O4/c1-18(30)29-27-14-19-11-20(15-27)13-26(12-19,17-27)25(32)33-16-24(31)28-23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-10,19-20H,11-17H2,1H3,(H,28,31)(H,29,30)/t19-,20+,26?,27?