[(E)-6-oxidanylidene-8-[6-pentyl-2-(phenylmethoxycarbonylamino)cyclohex-3-en-1-yl]oct-7-enyl] 4-bromanylbenzoate

Systemtic Name: [(E)-6-oxidanylidene-8-[6-pentyl-2-(phenylmethoxycarbonylamino)cyclohex-3-en-1-yl]oct-7-enyl] 4-bromanylbenzoate Openeye Name: [(E)-8-[2-(benzyloxycarbonylamino)-6-pentyl-cyclohex-3-en-1-yl]-6-oxo-oct-7-enyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(E)-6-oxo-8-[6-pentyl-2-(phenylmethoxycarbonylamino)-1-cyclohex-3-enyl]oct-7-enyl] ester IUPAC Name: [(E)-6-oxo-8-[6-pentyl-2-(phenylmethoxycarbonylamino)cyclohex-3-en-1-yl]oct-7-enyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(E)-8-[6-amyl-2-(benzyloxycarbonylamino)cyclohex-3-en-1-yl]-6-keto-oct-7-enyl] ester Formula: C34H42BrNO5 MolecularWeight: 624.60498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC=CC(C1C=CC(=O)CCCCCOC(=O)C2=CC=C(C=C2)Br)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCC1CC=CC(C1/C=C/C(=O)CCCCCOC(=O)C2=CC=C(C=C2)Br)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C34H42BrNO5/c1-2-3-6-14-27-15-11-17-32(36-34(39)41-25-26-12-7-4-8-13-26)31(27)23-22-30(37)16-9-5-10-24-40-33(38)28-18-20-29(35)21-19-28/h4,7-8,11-13,17-23,27,31-32H,2-3,5-6,9-10,14-16,24-25H2,1H3,(H,36,39)/b23-22+