(5S,5aS,8aR,9R)-5-[[2-(4-aminophenyl)carbonylphenyl]amino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Systemtic Name: (5S,5aS,8aR,9R)-5-[[2-(4-aminophenyl)carbonylphenyl]amino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Openeye Name: (5S,5aS,8aR,9R)-5-[2-(4-aminobenzoyl)anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one CAS Name: (5S,5aS,8aR,9R)-5-[2-[(4-aminophenyl)-oxomethyl]anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one IUPAC Name: (5S,5aS,8aR,9R)-5-[2-(4-aminobenzoyl)anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Traditional Name: (5S,5aS,8aR,9R)-5-[2-(4-aminobenzoyl)anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one Formula: C35H32N2O8 MolecularWeight: 608.63718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6C(=O)C7=CC=C(C=C7)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6C(=O)C7=CC=C(C=C7)N

InChI

InChI=1S/C35H32N2O8/c1-40-28-12-19(13-29(41-2)34(28)42-3)30-22-14-26-27(45-17-44-26)15-23(22)32(24-16-43-35(39)31(24)30)37-25-7-5-4-6-21(25)33(38)18-8-10-20(36)11-9-18/h4-15,24,30-32,37H,16-17,36H2,1-3H3/t24-,30+,31-,32+/m0/s1