N-[(5R,5aS,8aR,9S)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-(4-chlorophenyl)carbonyl-benzamide

Systemtic Name: N-[(5R,5aS,8aR,9S)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-(4-chlorophenyl)carbonyl-benzamide Openeye Name: N-[(5R,5aS,8aR,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-(4-chlorobenzoyl)benzamide CAS Name: N-[(5R,5aS,8aR,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-[(4-chlorophenyl)-oxomethyl]benzamide IUPAC Name: N-[(5R,5aS,8aR,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-(4-chlorobenzoyl)benzamide Traditional Name: N-[(5R,5aS,8aR,9S)-8-keto-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-(4-chlorobenzoyl)benzamide Formula: C36H30ClNO9 MolecularWeight: 656.0777

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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)NC(=O)C6=CC=C(C=C6)C(=O)C7=CC=C(C=C7)Cl

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)NC(=O)C6=CC=C(C=C6)C(=O)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C36H30ClNO9/c1-42-28-12-21(13-29(43-2)34(28)44-3)30-23-14-26-27(47-17-46-26)15-24(23)32(25-16-45-36(41)31(25)30)38-35(40)20-6-4-18(5-7-20)33(39)19-8-10-22(37)11-9-19/h4-15,25,30-32H,16-17H2,1-3H3,(H,38,40)/t25-,30-,31-,32-/m0/s1