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

Systemtic Name: 6-[(2S)-2-(4-dimethylaminophenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoic acid Openeye Name: 6-[(2S)-2-(4-dimethylaminophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoic acid CAS Name: 6-[(2S)-2-(4-dimethylaminophenyl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]hexanoic acid IUPAC Name: 6-[(2S)-2-(4-dimethylaminophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoic acid Traditional Name: 6-[(2S)-2-(4-dimethylaminophenyl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]hexanoic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCCCC(=O)O)O)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=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/C27H30N2O5/c1-28(2)21-15-13-20(14-16-21)25-24(22(30)17-12-19-9-5-3-6-10-19)26(33)27(34)29(25)18-8-4-7-11-23(31)32/h3,5-6,9-10,12-17,25,33H,4,7-8,11,18H2,1-2H3,(H,31,32)/b17-12+/t25-/m0/s1