methyl 2-[3-[3-(1-adamantyl)-3-oxidanylidene-propanoyl]-4-oxidanyl-phenyl]ethanoate

Systemtic Name: methyl 2-[3-[3-(1-adamantyl)-3-oxidanylidene-propanoyl]-4-oxidanyl-phenyl]ethanoate Openeye Name: methyl 2-[3-[3-(1-adamantyl)-3-oxo-propanoyl]-4-hydroxy-phenyl]acetate CAS Name: 2-[3-[3-(1-adamantyl)-1,3-dioxopropyl]-4-hydroxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[3-(1-adamantyl)-3-oxopropanoyl]-4-hydroxyphenyl]acetate Traditional Name: 2-[3-[3-(1-adamantyl)-3-keto-propanoyl]-4-hydroxy-phenyl]acetic acid methyl ester Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=C(C=C1)O)C(=O)CC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)CC1=CC(=C(C=C1)O)C(=O)CC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H26O5/c1-27-21(26)8-13-2-3-18(23)17(7-13)19(24)9-20(25)22-10-14-4-15(11-22)6-16(5-14)12-22/h2-3,7,14-16,23H,4-6,8-12H2,1H3