(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C23H26O5 MolecularWeight: 382.44954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)C

InChI

InChI=1S/C23H26O5/c1-13-3-4-18-17(6-19(24)28-20(18)14(13)2)11-27-21(25)22-7-15-5-16(8-22)10-23(26,9-15)12-22/h3-4,6,15-16,26H,5,7-12H2,1-2H3/t15-,16+,22?,23?