(1-methoxy-1-oxidanylidene-propan-2-yl) 3-phenyladamantane-1-carboxylate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 3-phenyladamantane-1-carboxylate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C21H26O4 MolecularWeight: 342.42874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC)OC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4

InChI

InChI=1S/C21H26O4/c1-14(18(22)24-2)25-19(23)21-11-15-8-16(12-21)10-20(9-15,13-21)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3