(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-(quinolin-3-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Systemtic Name: (5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-(quinolin-3-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Openeye Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(3-quinolylamino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one CAS Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-quinolinylamino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one IUPAC Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(quinolin-3-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Traditional Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(3-quinolylamino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one Formula: C30H26N2O7 MolecularWeight: 526.53664

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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)NC6=CC7=CC=CC=C7N=C6

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC7=CC=CC=C7N=C6

InChI

InChI=1S/C30H26N2O7/c1-35-24-8-16(9-25(36-2)29(24)33)26-18-10-22-23(39-14-38-22)11-19(18)28(20-13-37-30(34)27(20)26)32-17-7-15-5-3-4-6-21(15)31-12-17/h3-12,20,26-28,32-33H,13-14H2,1-2H3/t20-,26+,27-,28+/m0/s1