(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (6-isopropyl-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-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H30O5 MolecularWeight: 410.5027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)C(C)C

InChI

InChI=1S/C25H30O5/c1-14(2)19-7-20-18(6-22(26)30-21(20)4-15(19)3)12-29-23(27)24-8-16-5-17(9-24)11-25(28,10-16)13-24/h4,6-7,14,16-17,28H,5,8-13H2,1-3H3/t16-,17+,24?,25?