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

Systemtic Name: (3S)-5-bromanyl-1-[(2,5-dimethylphenyl)methyl]-3-oxidanyl-3-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]indol-2-one Openeye Name: (3S)-5-bromo-1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenyl-but-3-enyl]indolin-2-one CAS Name: (3S)-5-bromo-1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-2-indolone IUPAC Name: (3S)-5-bromo-1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one Traditional Name: (3S)-5-bromo-1-(2,5-dimethylbenzyl)-3-hydroxy-3-[(E)-2-keto-4-phenyl-but-3-enyl]oxindole Formula: C27H24BrNO3 MolecularWeight: 490.38836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=C(C=C3)Br)C(C2=O)(CC(=O)C=CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=C(C=C3)Br)[C@](C2=O)(CC(=O)/C=C/C4=CC=CC=C4)O

InChI

InChI=1S/C27H24BrNO3/c1-18-8-9-19(2)21(14-18)17-29-25-13-11-22(28)15-24(25)27(32,26(29)31)16-23(30)12-10-20-6-4-3-5-7-20/h3-15,32H,16-17H2,1-2H3/b12-10+/t27-/m0/s1