[2-[2-(4-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[2-(4-chlorobenzoyl)hydrazino]-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-[[(4-chlorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-[N'-(4-chlorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5/c21-15-3-1-14(2-4-15)17(25)23-22-16(24)10-28-18(26)19-6-12-5-13(7-19)9-20(27,8-12)11-19/h1-4,12-13,27H,5-11H2,(H,22,24)(H,23,25)/t12-,13+,19?,20?