[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C26H25BrClNO4 MolecularWeight: 530.838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrClNO4/c27-26-12-16-8-17(13-26)11-25(10-16,15-26)24(32)33-14-22(30)29-21-7-6-19(28)9-20(21)23(31)18-4-2-1-3-5-18/h1-7,9,16-17H,8,10-15H2,(H,29,30)