[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] adamantane-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] adamantane-2-carboxylate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H27NO3/c1-13(20(23)22-12-14-5-3-2-4-6-14)25-21(24)19-17-8-15-7-16(10-17)11-18(19)9-15/h2-6,13,15-19H,7-12H2,1H3,(H,22,23)/t13-,15?,16?,17?,18?,19?/m1/s1