[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O5/c1-14(26)23-22-10-15-7-16(11-22)9-21(8-15,13-22)20(29)30-12-18(27)24-25-19(28)17-5-3-2-4-6-17/h2-6,15-16H,7-13H2,1H3,(H,23,26)(H,24,27)(H,25,28)