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

Systemtic Name: (3S)-5-chloranyl-1-[(2-methylphenyl)methyl]-3-oxidanyl-3-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]indol-2-one Openeye Name: (3S)-5-chloro-3-hydroxy-1-(o-tolylmethyl)-3-[(E)-2-oxo-4-phenyl-but-3-enyl]indolin-2-one CAS Name: (3S)-5-chloro-3-hydroxy-1-[(2-methylphenyl)methyl]-3-[(E)-2-oxo-4-phenylbut-3-enyl]-2-indolone IUPAC Name: (3S)-5-chloro-3-hydroxy-1-[(2-methylphenyl)methyl]-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one Traditional Name: (3S)-5-chloro-3-hydroxy-3-[(E)-2-keto-4-phenyl-but-3-enyl]-1-(2-methylbenzyl)oxindole Formula: C26H22ClNO3 MolecularWeight: 431.91078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=C(C=C3)Cl)C(C2=O)(CC(=O)C=CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=C(C=C3)Cl)[C@](C2=O)(CC(=O)/C=C/C4=CC=CC=C4)O

InChI

InChI=1S/C26H22ClNO3/c1-18-7-5-6-10-20(18)17-28-24-14-12-21(27)15-23(24)26(31,25(28)30)16-22(29)13-11-19-8-3-2-4-9-19/h2-15,31H,16-17H2,1H3/b13-11+/t26-/m0/s1