[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=CC=C4CC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=CC=C4CC5=CC=CC=C5

InChI

InChI=1S/C28H32N2O4/c1-19(31)30-28-15-21-11-22(16-28)14-27(13-21,18-28)26(33)34-17-25(32)29-24-10-6-5-9-23(24)12-20-7-3-2-4-8-20/h2-10,21-22H,11-18H2,1H3,(H,29,32)(H,30,31)