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

Systemtic Name: (2-chloranyl-5-methyl-phenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (2-chloro-5-methyl-phenyl) ester Formula: C18H20Cl2O2 MolecularWeight: 339.2562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2O2/c1-11-2-3-14(19)15(4-11)22-16(21)17-6-12-5-13(7-17)9-18(20,8-12)10-17/h2-4,12-13H,5-10H2,1H3/t12-,13+,17?,18?