(3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enyl]-3-oxidanyl-1-propyl-indol-2-one

Systemtic Name: (3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enyl]-3-oxidanyl-1-propyl-indol-2-one Openeye Name: (3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxo-but-3-enyl]-3-hydroxy-1-propyl-indolin-2-one CAS Name: (3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-1-propyl-2-indolone IUPAC Name: (3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-1-propylindol-2-one Traditional Name: (3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-keto-but-3-enyl]-3-hydroxy-1-propyl-oxindole Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(C1=O)(CC(=O)C=CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCCN1C2=CC=CC=C2[C@](C1=O)(CC(=O)/C=C/C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H21NO5/c1-2-11-23-18-6-4-3-5-17(18)22(26,21(23)25)13-16(24)9-7-15-8-10-19-20(12-15)28-14-27-19/h3-10,12,26H,2,11,13-14H2,1H3/b9-7+/t22-/m0/s1