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

Systemtic Name: 6-[(2S)-2-(2-methoxyphenyl)-4-oxidanidyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate Openeye Name: 6-[(2S)-2-(2-methoxyphenyl)-4-oxido-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate CAS Name: 6-[(2S)-2-(2-methoxyphenyl)-4-oxido-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]hexanoate IUPAC Name: 6-[(2S)-2-(2-methoxyphenyl)-4-oxido-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate Traditional Name: 6-[(5S)-2-keto-5-(2-methoxyphenyl)-3-oxido-4-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]hexanoate Formula: C26H25NO6-2 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C(=C(C(=O)N2CCCCCC(=O)[O-])[O-])C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO6/c1-33-21-13-8-7-12-19(21)24-23(20(28)16-15-18-10-4-2-5-11-18)25(31)26(32)27(24)17-9-3-6-14-22(29)30/h2,4-5,7-8,10-13,15-16,24,31H,3,6,9,14,17H2,1H3,(H,29,30)/p-2/b16-15+/t24-/m0/s1