6-[(2R)-2-(4-ethoxyphenyl)-4-oxidanidyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate

Systemtic Name: 6-[(2R)-2-(4-ethoxyphenyl)-4-oxidanidyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate Openeye Name: 6-[(2R)-2-(4-ethoxyphenyl)-4-oxido-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate CAS Name: 6-[(2R)-2-(4-ethoxyphenyl)-4-oxido-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]hexanoate IUPAC Name: 6-[(2R)-2-(4-ethoxyphenyl)-4-oxido-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate Traditional Name: 6-[(5R)-2-keto-3-oxido-4-[(E)-3-phenylacryloyl]-5-p-phenetyl-3-pyrrolin-1-yl]hexanoate Formula: C27H27NO6-2 MolecularWeight: 461.50638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCCCC(=O)[O-])[O-])C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCCCCC(=O)[O-])[O-])C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H29NO6/c1-2-34-21-15-13-20(14-16-21)25-24(22(29)17-12-19-9-5-3-6-10-19)26(32)27(33)28(25)18-8-4-7-11-23(30)31/h3,5-6,9-10,12-17,25,32H,2,4,7-8,11,18H2,1H3,(H,30,31)/p-2/b17-12+/t25-/m1/s1