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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H24O5 MolecularWeight: 368.42296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H24O5/c1-13-2-3-17-16(6-19(23)27-18(17)4-13)11-26-20(24)21-7-14-5-15(8-21)10-22(25,9-14)12-21/h2-4,6,14-15,25H,5,7-12H2,1H3/t14-,15+,21?,22?