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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] adamantane-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] adamantane-2-carboxylate CAS Name: 2-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-2-carboxylate Traditional Name: adamantane-2-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)C2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)OC(=O)C2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C23H31NO3/c1-12-5-13(2)21(14(3)6-12)24-22(25)15(4)27-23(26)20-18-8-16-7-17(10-18)11-19(20)9-16/h5-6,15-20H,7-11H2,1-4H3,(H,24,25)/t15-,16?,17?,18?,19?,20?/m0/s1