2-oxidanylidenepropyl 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: acetonyl 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid acetonyl ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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