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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-13(20(23)22(2)18-6-4-3-5-7-18)25-21(24)19-16-9-14-8-15(11-16)12-17(19)10-14/h3-7,13-17,19H,8-12H2,1-2H3/t13-,14?,15?,16?,17?,19?/m1/s1