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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (2-methoxy-5-methyl-benzyl) ester Formula: C20H25ClO3 MolecularWeight: 348.8637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H25ClO3/c1-13-3-4-17(23-2)16(5-13)11-24-18(22)19-7-14-6-15(8-19)10-20(21,9-14)12-19/h3-5,14-15H,6-12H2,1-2H3/t14-,15+,19?,20?