2-[(5R,5aR,9S)-5-(3,5-dimethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(5R,5aR,9S)-5-(3,5-dimethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[(5R,5aR,9S)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-9-yl]-N-(4-pyridylmethyl)acetamide CAS Name: 2-[(5R,5aR,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-9-yl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[(5R,5aR,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[(5R,5aR,9S)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-6-keto-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-9-yl]-N-(4-pyridylmethyl)acetamide Formula: C29H28N2O8 MolecularWeight: 532.54122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)CC(=O)NCC6=CC=NC=C6

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)CC(=O)NCC6=CC=NC=C6

InChI

InChI=1S/C29H28N2O8/c1-35-23-7-16(8-24(36-2)28(23)33)26-19-10-22-21(38-14-39-22)9-17(19)18(20-13-37-29(34)27(20)26)11-25(32)31-12-15-3-5-30-6-4-15/h3-10,18,20,26-27,33H,11-14H2,1-2H3,(H,31,32)/t18-,20?,26-,27+/m1/s1