[2-(2-chlorophenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(2-chlorophenyl)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(2-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenyl)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(2-chlorophenyl)-2-keto-ethyl] ester Formula: C19H21ClO4 MolecularWeight: 348.82064

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H21ClO4/c20-15-4-2-1-3-14(15)16(21)10-24-17(22)18-6-12-5-13(7-18)9-19(23,8-12)11-18/h1-4,12-13,23H,5-11H2/t12-,13+,18?,19?