(1S,6R)-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-(4-phenylbutylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C18H22NO3- MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCCCCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NCCCCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H23NO3/c20-17(15-11-4-5-12-16(15)18(21)22)19-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,15-16H,6-7,10-13H2,(H,19,20)(H,21,22)/p-1/t15-,16+/m1/s1