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

Systemtic Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H23Cl2NO4 MolecularWeight: 412.30692

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC(=O)NCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H23Cl2NO4/c21-15-2-1-14(16(22)4-15)9-23-17(24)10-27-18(25)19-5-12-3-13(6-19)8-20(26,7-12)11-19/h1-2,4,12-13,26H,3,5-11H2,(H,23,24)/t12-,13+,19?,20?