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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO3/c21-20-9-15-6-16(10-20)8-19(7-15,13-20)18(24)25-12-17(23)22-11-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,22,23)/t15-,16+,19?,20?