(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-(3-hydroxyphenyl)-1-oxidanyl-4-pyridin-2-yl-pent-4-enyl]-2-methyl-6-propan-2-yl-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-methyl-6-propan-2-yl-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)-6-isopropyl-2-methyl-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-methyl-6-propan-2-yl-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-methyl-6-propan-2-yl-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]-6-isopropyl-2-methyl-4-methylol-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C29H34N2O5/c1-17(2)21-15-22-27(29(36)31(3)28(22)35)23(16-32)26(21)25(34)11-10-19(24-9-4-5-12-30-24)13-18-7-6-8-20(33)14-18/h4-9,12-14,17,22-23,25,27,32-34H,10-11,15-16H2,1-3H3/b19-13-/t22-,23+,25-,27-/m1/s1