(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic 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 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C26H32O5 MolecularWeight: 424.52928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)C(C)C

InChI

InChI=1S/C26H32O5/c1-15(2)20-7-21-19(6-23(27)31-22(21)4-16(20)3)13-30-24(28)12-25-8-17-5-18(9-25)11-26(29,10-17)14-25/h4,6-7,15,17-18,29H,5,8-14H2,1-3H3/t17-,18+,25?,26?