(2-benzamido-2-oxidanylidene-ethyl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c21-20-9-13-6-14(10-20)8-19(7-13,12-20)18(25)26-11-16(23)22-17(24)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H,22,23,24)/t13-,14+,19?,20?