(1S,2R)-2-(octylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(octylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(octylcarbamoyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[(octylamino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(octylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(octylcarbamoyl)cyclohexanecarboxylate Formula: C16H28NO3- MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1CCCCC1C(=O)[O-]

Isomeric SMILES

CCCCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]

InChI

InChI=1S/C16H29NO3/c1-2-3-4-5-6-9-12-17-15(18)13-10-7-8-11-14(13)16(19)20/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20)/p-1/t13-,14+/m1/s1