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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C23H25ClO5 MolecularWeight: 416.8946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)Cl

InChI

InChI=1S/C23H25ClO5/c1-2-15-4-19-17(6-18(15)24)16(5-20(25)29-19)11-28-21(26)22-7-13-3-14(8-22)10-23(27,9-13)12-22/h4-6,13-14,27H,2-3,7-12H2,1H3/t13-,14+,22?,23?