(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(E,1R)-5-(2-hydroxyphenyl)-4-methyl-1-oxidanyl-pent-4-enyl]-2-(4-phenylazanylphenyl)-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(E,1R)-5-(2-hydroxyphenyl)-4-methyl-1-oxidanyl-pent-4-enyl]-2-(4-phenylazanylphenyl)-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methyl-pent-4-enyl]-4-(hydroxymethyl)-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methyl-pent-4-enyl]-4-methylol-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C36H40N2O5 MolecularWeight: 580.7132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC4=CC=CC=C4)CO)C(CCC(=CC5=CC=CC=C5O)C)O

Isomeric SMILES

CCCC1=C([C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC4=CC=CC=C4)CO)[C@@H](CC/C(=C/C5=CC=CC=C5O)/C)O

InChI

InChI=1S/C36H40N2O5/c1-3-9-25-21-29-34(30(22-39)33(25)32(41)19-14-23(2)20-24-10-7-8-13-31(24)40)36(43)38(35(29)42)28-17-15-27(16-18-28)37-26-11-5-4-6-12-26/h4-8,10-13,15-18,20,29-30,32,34,37,39-41H,3,9,14,19,21-22H2,1-2H3/b23-20+/t29-,30+,32-,34-/m1/s1