[(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] cyclohexanecarboxylate

Systemtic Name: [(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] cyclohexanecarboxylate Openeye Name: [(1R)-2-[4-(2,2-dimethylpropanoylamino)phenyl]-1-methyl-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [(2R)-1-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(1R)-2-keto-1-methyl-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)OC(=O)C2CCCCC2

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)OC(=O)C2CCCCC2

InChI

InChI=1S/C21H29NO4/c1-14(26-19(24)16-8-6-5-7-9-16)18(23)15-10-12-17(13-11-15)22-20(25)21(2,3)4/h10-14,16H,5-9H2,1-4H3,(H,22,25)/t14-/m1/s1