(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(2-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-6-(phenoxymethyl)-2-(4-phenylazanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(2-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-6-(phenoxymethyl)-2-(4-phenylazanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylene]hexyl]-4-(hydroxymethyl)-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylidene]hexyl]-4-(hydroxymethyl)-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylidene]hexyl]-4-(hydroxymethyl)-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-4-ethyl-1-hydroxy-5-(2-hydroxyphenyl)pent-4-enyl]-4-methylol-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C41H42N2O6 MolecularWeight: 658.78198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=CC=C1O)CCC(C2=C(CC3C(C2CO)C(=O)N(C3=O)C4=CC=C(C=C4)NC5=CC=CC=C5)COC6=CC=CC=C6)O

Isomeric SMILES

CC/C(=C\C1=CC=CC=C1O)/CC[C@H](C2=C(C[C@@H]3[C@H]([C@H]2CO)C(=O)N(C3=O)C4=CC=C(C=C4)NC5=CC=CC=C5)COC6=CC=CC=C6)O

InChI

InChI=1S/C41H42N2O6/c1-2-27(23-28-11-9-10-16-36(28)45)17-22-37(46)38-29(26-49-33-14-7-4-8-15-33)24-34-39(35(38)25-44)41(48)43(40(34)47)32-20-18-31(19-21-32)42-30-12-5-3-6-13-30/h3-16,18-21,23,34-35,37,39,42,44-46H,2,17,22,24-26H2,1H3/b27-23+/t34-,35+,37-,39-/m1/s1