(1-oxidanylidene-1-phenyl-propan-2-yl) 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 3-acetamidoadamantane-1-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C22H27NO4/c1-14(19(25)18-6-4-3-5-7-18)27-20(26)21-9-16-8-17(10-21)12-22(11-16,13-21)23-15(2)24/h3-7,14,16-17H,8-13H2,1-2H3,(H,23,24)