3-oxidanylidenebutan-2-yl 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O4/c1-14(23)15(2)26-20(24)22-11-16-8-17(12-22)10-21(9-16,13-22)18-4-6-19(25-3)7-5-18/h4-7,15-17H,8-13H2,1-3H3