[(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] adamantane-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] adamantane-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [(1S)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C20H29N3O3/c1-10-18(11(2)23(4)22-10)21-19(24)12(3)26-20(25)17-15-6-13-5-14(8-15)9-16(17)7-13/h12-17H,5-9H2,1-4H3,(H,21,24)/t12-,13?,14?,15?,16?,17?/m0/s1