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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4/c22-21-9-15-6-16(10-21)8-20(7-15,13-21)18(26)28-12-17(25)24-19(27)23-11-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H2,23,24,25,27)/t15-,16+,20?,21?