2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-(3-pyridylmethyl)-2H-pyrrol-5-one CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-1-(3-pyridinylmethyl)-2H-pyrrol-5-one IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one Traditional Name: 5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-1-(3-pyridylmethyl)-3-pyrrolin-2-one Formula: C26H21BrN2O5 MolecularWeight: 521.35934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C=CC4=CC=CC=C4)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)/C=C/C4=CC=CC=C4)Br)O

InChI

InChI=1S/C26H21BrN2O5/c1-34-21-13-18(12-19(27)24(21)31)23-22(20(30)10-9-16-6-3-2-4-7-16)25(32)26(33)29(23)15-17-8-5-11-28-14-17/h2-14,23,31-32H,15H2,1H3/b10-9+