3-buta-2,3-dien-2-yl-2-[(2-iodanylphenyl)methyl]-3-oxidanyl-isoindol-1-one; 3-buta-2,3-dien-2-yl-3-oxidanyl-2-(phenylmethyl)isoindol-1-one

Systemtic Name: 3-buta-2,3-dien-2-yl-2-[(2-iodanylphenyl)methyl]-3-oxidanyl-isoindol-1-one; 3-buta-2,3-dien-2-yl-3-oxidanyl-2-(phenylmethyl)isoindol-1-one Openeye Name: 2-benzyl-3-hydroxy-3-(1-methylpropa-1,2-dienyl)isoindolin-1-one; 3-hydroxy-2-[(2-iodophenyl)methyl]-3-(1-methylpropa-1,2-dienyl)isoindolin-1-one CAS Name: 3-buta-2,3-dien-2-yl-3-hydroxy-2-[(2-iodophenyl)methyl]-1-isoindolone; 3-buta-2,3-dien-2-yl-3-hydroxy-2-(phenylmethyl)-1-isoindolone IUPAC Name: 2-benzyl-3-buta-2,3-dien-2-yl-3-hydroxyisoindol-1-one; 3-buta-2,3-dien-2-yl-3-hydroxy-2-[(2-iodophenyl)methyl]isoindol-1-one Traditional Name: 2-benzyl-3-hydroxy-3-(1-methylpropa-1,2-dienyl)isoindolin-1-one; 3-hydroxy-2-(2-iodobenzyl)-3-(1-methylpropa-1,2-dienyl)isoindolin-1-one Formula: C38H33IN2O4 MolecularWeight: 708.58409

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=C)C1(C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)O.CC(=C=C)C1(C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3I)O

Isomeric SMILES

CC(=C=C)C1(C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)O.CC(=C=C)C1(C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3I)O

InChI

InChI=1S/C19H16INO2.C19H17NO2/c1-3-13(2)19(23)16-10-6-5-9-15(16)18(22)21(19)12-14-8-4-7-11-17(14)20;1-3-14(2)19(22)17-12-8-7-11-16(17)18(21)20(19)13-15-9-5-4-6-10-15/h4-11,23H,1,12H2,2H3;4-12,22H,1,13H2,2H3