(5-bromanyl-2-methoxy-phenyl)methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO4/c1-13(24)23-21-9-14-5-15(10-21)8-20(7-14,12-21)19(25)27-11-16-6-17(22)3-4-18(16)26-2/h3-4,6,14-15H,5,7-12H2,1-2H3,(H,23,24)