(3,4-dichlorophenyl)methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (3,4-dichlorophenyl)methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: (3,4-dichlorophenyl)methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (3,4-dichlorobenzyl) ester Formula: C20H23Cl2NO3 MolecularWeight: 396.30752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H23Cl2NO3/c1-12(24)23-20-8-14-4-15(9-20)7-19(6-14,11-20)18(25)26-10-13-2-3-16(21)17(22)5-13/h2-3,5,14-15H,4,6-11H2,1H3,(H,23,24)