(1R,2R)-2-(phenethylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-(phenethylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-(phenethylcarbamoyl)cyclohexanecarboxylate CAS Name: (1R,2R)-2-[oxo-(phenethylamino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-(phenethylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-(phenethylcarbamoyl)cyclohexanecarboxylate Formula: C16H20NO3- MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NCCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H21NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)(H,19,20)/p-1/t13-,14-/m1/s1