(1S,6R)-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-(pentylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(amylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C13H20NO3- MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CC=CCC1C(=O)[O-]

Isomeric SMILES

CCCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]

InChI

InChI=1S/C13H21NO3/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(16)17/h4-5,10-11H,2-3,6-9H2,1H3,(H,14,15)(H,16,17)/p-1/t10-,11+/m1/s1