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

Systemtic Name: 6-[(2R)-2-(4-ethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoic acid Openeye Name: 6-[(2R)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoic acid CAS Name: 6-[(2R)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]hexanoic acid IUPAC Name: 6-[(2R)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoic acid Traditional Name: 6-[(5R)-3-hydroxy-2-keto-4-[(E)-3-phenylacryloyl]-5-p-phenetyl-3-pyrrolin-1-yl]hexanoic acid Formula: C27H29NO6 MolecularWeight: 463.52226

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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)/b17-12+/t25-/m1/s1