(3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-3-(phenylmethyl)isoindol-1-one

Systemtic Name: (3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-3-(phenylmethyl)isoindol-1-one Openeye Name: (3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-3-hydroxy-isoindolin-1-one CAS Name: (3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-(phenylmethyl)-1-isoindolone IUPAC Name: (3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-3-hydroxyisoindol-1-one Traditional Name: (3S)-3-benzyl-3-hydroxy-2-piperonyl-isoindolin-1-one Formula: C23H19NO4 MolecularWeight: 373.40126

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C3(CC5=CC=CC=C5)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4[C@]3(CC5=CC=CC=C5)O

InChI

InChI=1S/C23H19NO4/c25-22-18-8-4-5-9-19(18)23(26,13-16-6-2-1-3-7-16)24(22)14-17-10-11-20-21(12-17)28-15-27-20/h1-12,26H,13-15H2/t23-/m0/s1