(3S)-5-bromanyl-3-oxidanyl-3-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]-1-(phenylmethyl)indol-2-one

Systemtic Name: (3S)-5-bromanyl-3-oxidanyl-3-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]-1-(phenylmethyl)indol-2-one Openeye Name: (3S)-1-benzyl-5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenyl-but-3-enyl]indolin-2-one CAS Name: (3S)-5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(phenylmethyl)-2-indolone IUPAC Name: (3S)-1-benzyl-5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one Traditional Name: (3S)-1-benzyl-5-bromo-3-hydroxy-3-[(E)-2-keto-4-phenyl-but-3-enyl]oxindole Formula: C25H20BrNO3 MolecularWeight: 462.3352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C=CC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)[C@](C2=O)(CC(=O)/C=C/C4=CC=CC=C4)O

InChI

InChI=1S/C25H20BrNO3/c26-20-12-14-23-22(15-20)25(30,16-21(28)13-11-18-7-3-1-4-8-18)24(29)27(23)17-19-9-5-2-6-10-19/h1-15,30H,16-17H2/b13-11+/t25-/m0/s1