[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] adamantane-1-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1S)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)OC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H31NO3/c1-13-5-14(2)20(15(3)6-13)24-21(25)16(4)27-22(26)23-10-17-7-18(11-23)9-19(8-17)12-23/h5-6,16-19H,7-12H2,1-4H3,(H,24,25)/t16-,17?,18?,19?,23?/m0/s1