(5-chloranyl-2-methoxy-phenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (5-chloro-2-methoxy-benzyl) ester Formula: C19H23ClO4 MolecularWeight: 350.83652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C19H23ClO4/c1-23-16-3-2-15(20)5-14(16)10-24-17(21)18-6-12-4-13(7-18)9-19(22,8-12)11-18/h2-3,5,12-13,22H,4,6-11H2,1H3/t12-,13+,18?,19?