(1S,2S)-2-[(2,6-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(2,6-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(2,6-dimethylphenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(2,6-dimethylanilino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(2,6-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(2,6-dimethylphenyl)carbamoyl]cyclohexanecarboxylate Formula: C16H20NO3- MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C16H21NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h5-7,12-13H,3-4,8-9H2,1-2H3,(H,17,18)(H,19,20)/p-1/t12-,13-/m0/s1