methyl 5-[3-(1-adamantyl)phenyl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[3-(1-adamantyl)phenyl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[3-(1-adamantyl)phenyl]-5-oxo-pentanoate CAS Name: 5-[3-(1-adamantyl)phenyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[3-(1-adamantyl)phenyl]-5-oxopentanoate Traditional Name: 5-[3-(1-adamantyl)phenyl]-5-keto-valeric acid methyl ester Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)C1=CC(=CC=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)CCCC(=O)C1=CC(=CC=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28O3/c1-25-21(24)7-3-6-20(23)18-4-2-5-19(11-18)22-12-15-8-16(13-22)10-17(9-15)14-22/h2,4-5,11,15-17H,3,6-10,12-14H2,1H3