[2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-(2,6-dichloroanilino)-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-(2,6-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloroanilino)-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-(2,6-dichloroanilino)-2-keto-ethyl] ester Formula: C25H25Cl2NO3 MolecularWeight: 458.3769

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=CC=C4Cl)Cl)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=CC=C4Cl)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H25Cl2NO3/c26-19-7-4-8-20(27)22(19)28-21(29)14-31-23(30)25-12-16-9-17(13-25)11-24(10-16,15-25)18-5-2-1-3-6-18/h1-8,16-17H,9-15H2,(H,28,29)