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

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C20H23ClO4 MolecularWeight: 362.84722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H23ClO4/c1-24-17-5-3-2-4-15(17)16(22)11-25-18(23)19-7-13-6-14(8-19)10-20(21,9-13)12-19/h2-5,13-14H,6-12H2,1H3/t13-,14+,19?,20?