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

Systemtic Name: [2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(2,3-dichloroanilino)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dichloroanilino)-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(2,3-dichloroanilino)-2-keto-ethyl] ester Formula: C21H24Cl2N2O4 MolecularWeight: 439.33226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C21H24Cl2N2O4/c1-12(26)25-21-8-13-5-14(9-21)7-20(6-13,11-21)19(28)29-10-17(27)24-16-4-2-3-15(22)18(16)23/h2-4,13-14H,5-11H2,1H3,(H,24,27)(H,25,26)