[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)O)C

InChI

InChI=1S/C27H31NO4/c1-17-8-18(2)10-22(9-17)28-24(29)23(21-6-4-3-5-7-21)32-25(30)26-12-19-11-20(13-26)15-27(31,14-19)16-26/h3-10,19-20,23,31H,11-16H2,1-2H3,(H,28,29)