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

Systemtic Name: (5S,5aS,8aR,9R)-9-[4-(2-dimethylaminoethyloxy)-3,5-dimethoxy-phenyl]-5-[(4-fluorophenyl)amino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Openeye Name: (5S,5aS,8aR,9R)-9-[4-(2-dimethylaminoethyloxy)-3,5-dimethoxy-phenyl]-5-(4-fluoroanilino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one CAS Name: (5S,5aS,8aR,9R)-9-[4-(2-dimethylaminoethyloxy)-3,5-dimethoxyphenyl]-5-(4-fluoroanilino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one IUPAC Name: (5S,5aS,8aR,9R)-9-[4-(2-dimethylaminoethyloxy)-3,5-dimethoxyphenyl]-5-(4-fluoroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Traditional Name: (5S,5aS,8aR,9R)-9-[4-(2-dimethylaminoethyloxy)-3,5-dimethoxy-phenyl]-5-(4-fluoroanilino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one Formula: C31H33FN2O7 MolecularWeight: 564.601323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=C(C=C1OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F)OC

Isomeric SMILES

CN(C)CCOC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F)OC

InChI

InChI=1S/C31H33FN2O7/c1-34(2)9-10-38-30-25(36-3)11-17(12-26(30)37-4)27-20-13-23-24(41-16-40-23)14-21(20)29(22-15-39-31(35)28(22)27)33-19-7-5-18(32)6-8-19/h5-8,11-14,22,27-29,33H,9-10,15-16H2,1-4H3/t22-,27+,28-,29+/m0/s1