[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C21H27NO4/c1-14(18(23)22-12-15-5-3-2-4-6-15)26-19(24)20-8-16-7-17(9-20)11-21(25,10-16)13-20/h2-6,14,16-17,25H,7-13H2,1H3,(H,22,23)