(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-(3-hydroxyphenyl)-1-oxidanyl-4-pyridin-2-yl-pent-4-enyl]-2,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-(3-hydroxyphenyl)-1-oxidanyl-4-pyridin-2-yl-pent-4-enyl]-2,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-(2-pyridyl)pent-4-enyl]-4-(hydroxymethyl)-2,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-(2-pyridinyl)pent-4-enyl]-4-(hydroxymethyl)-2,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-pyridin-2-ylpent-4-enyl]-4-(hydroxymethyl)-2,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-(2-pyridyl)pent-4-enyl]-2,6-dimethyl-4-methylol-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(C1)C(=O)N(C2=O)C)CO)C(CCC(=CC3=CC(=CC=C3)O)C4=CC=CC=N4)O

Isomeric SMILES

CC1=C([C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)C)CO)[C@@H](CC/C(=C/C3=CC(=CC=C3)O)/C4=CC=CC=N4)O

InChI

InChI=1S/C27H30N2O5/c1-16-12-20-25(27(34)29(2)26(20)33)21(15-30)24(16)23(32)10-9-18(22-8-3-4-11-28-22)13-17-6-5-7-19(31)14-17/h3-8,11,13-14,20-21,23,25,30-32H,9-10,12,15H2,1-2H3/b18-13-/t20-,21+,23-,25-/m1/s1