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

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[3-(diethylamino)propyl]-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-[3-(diethylamino)propyl]-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C27H31BrN2O5 MolecularWeight: 543.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)C=CC2=CC=CC=C2)C3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)/C=C/C2=CC=CC=C2)C3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C27H31BrN2O5/c1-4-29(5-2)14-9-15-30-24(19-16-20(28)25(32)22(17-19)35-3)23(26(33)27(30)34)21(31)13-12-18-10-7-6-8-11-18/h6-8,10-13,16-17,24,32-33H,4-5,9,14-15H2,1-3H3/b13-12+