(3R)-3-[(S)-(2-bromanyl-4-phenylmethoxy-phenyl)-oxidanyl-methyl]-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one

Systemtic Name: (3R)-3-[(S)-(2-bromanyl-4-phenylmethoxy-phenyl)-oxidanyl-methyl]-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: (3R)-3-[(S)-(4-benzyloxy-2-bromo-phenyl)-hydroxy-methyl]-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methyl]isoindolin-1-one CAS Name: (3R)-3-[(S)-(2-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: (3R)-3-[(S)-(2-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: (3R)-3-[(S)-(4-benzoxy-2-bromo-phenyl)-hydroxy-methyl]-5,6,7-trimethoxy-2-p-anisyl-isoindolin-1-one Formula: C33H32BrNO7 MolecularWeight: 634.51368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(C3=CC(=C(C(=C3C2=O)OC)OC)OC)C(C4=C(C=C(C=C4)OCC5=CC=CC=C5)Br)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2[C@H](C3=CC(=C(C(=C3C2=O)OC)OC)OC)[C@H](C4=C(C=C(C=C4)OCC5=CC=CC=C5)Br)O

InChI

InChI=1S/C33H32BrNO7/c1-38-22-12-10-20(11-13-22)18-35-29(25-17-27(39-2)31(40-3)32(41-4)28(25)33(35)37)30(36)24-15-14-23(16-26(24)34)42-19-21-8-6-5-7-9-21/h5-17,29-30,36H,18-19H2,1-4H3/t29-,30+/m1/s1