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

Systemtic Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxidanidyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate Openeye Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxido-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate CAS Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxido-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]hexanoate IUPAC Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxido-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate Traditional Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-5-keto-4-oxido-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]hexanoate Formula: C27H27NO7-2 MolecularWeight: 477.50578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCCCCC(=O)[O-])[O-])C(=O)C=CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C(=C(C(=O)N2CCCCCC(=O)[O-])[O-])C(=O)/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C27H29NO7/c1-34-21-15-13-19(17-22(21)35-2)25-24(20(29)14-12-18-9-5-3-6-10-18)26(32)27(33)28(25)16-8-4-7-11-23(30)31/h3,5-6,9-10,12-15,17,25,32H,4,7-8,11,16H2,1-2H3,(H,30,31)/p-2/b14-12+/t25-/m1/s1