(2,3,6-trimethylphenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (2,3,6-trimethylphenyl) (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C20H25ClO2 MolecularWeight: 332.8643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClO2/c1-12-4-5-13(2)17(14(12)3)23-18(22)19-7-15-6-16(8-19)10-20(21,9-15)11-19/h4-5,15-16H,6-11H2,1-3H3/t15-,16+,19?,20?