[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C21H23Cl2NO4 MolecularWeight: 424.31762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H23Cl2NO4/c1-12(25)24-21-8-13-4-14(9-21)7-20(6-13,11-21)19(27)28-10-18(26)15-2-3-16(22)17(23)5-15/h2-3,5,13-14H,4,6-11H2,1H3,(H,24,25)/t13-,14+,20?,21?