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

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H23Cl2NO3 MolecularWeight: 396.30752

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C20H23Cl2NO3/c21-16-4-2-1-3-15(16)10-23-17(24)11-26-18(25)19-6-13-5-14(7-19)9-20(22,8-13)12-19/h1-4,13-14H,5-12H2,(H,23,24)/t13-,14+,19?,20?