[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenyl-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(3,5-dichloroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H24BrCl2NO3 MolecularWeight: 537.27296

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC(=CC(=C5)Cl)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC(=CC(=C5)Cl)Cl

InChI

InChI=1S/C25H24BrCl2NO3/c26-25-12-15-6-16(13-25)11-24(10-15,14-25)23(31)32-21(17-4-2-1-3-5-17)22(30)29-20-8-18(27)7-19(28)9-20/h1-5,7-9,15-16,21H,6,10-14H2,(H,29,30)