(2-oxidanylidene-2-phenylazanyl-ethyl) 3-bromanyladamantane-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-bromanyladamantane-1-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C19H22BrNO3/c20-19-9-13-6-14(10-19)8-18(7-13,12-19)17(23)24-11-16(22)21-15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H,21,22)