(1S,6S)-6-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-(tetralin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[oxo-(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(tetralin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C18H20NO3- MolecularWeight: 298.3563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C18H21NO3/c20-17(15-7-3-4-8-16(15)18(21)22)19-14-10-9-12-5-1-2-6-13(12)11-14/h3-4,9-11,15-16H,1-2,5-8H2,(H,19,20)(H,21,22)/p-1/t15-,16-/m0/s1