[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H24BrCl2NO3 MolecularWeight: 489.23016

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NCCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NCCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H24BrCl2NO3/c22-21-9-13-5-14(10-21)8-20(7-13,12-21)19(27)28-11-18(26)25-4-3-15-1-2-16(23)6-17(15)24/h1-2,6,13-14H,3-5,7-12H2,(H,25,26)