(4-benzamidophenyl) (E)-7-[(1R,2S,3R)-3-oxidanyl-5-oxidanylidene-2-[(3R)-3-oxidanyl-4-phenoxy-but-1-ynyl]cyclopentyl]hept-2-enoate

Systemtic Name: (4-benzamidophenyl) (E)-7-[(1R,2S,3R)-3-oxidanyl-5-oxidanylidene-2-[(3R)-3-oxidanyl-4-phenoxy-but-1-ynyl]cyclopentyl]hept-2-enoate Openeye Name: (4-benzamidophenyl) (E)-7-[(1R,2S,3R)-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxy-but-1-ynyl]-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2S,3R)-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxybut-1-ynyl]-5-oxocyclopentyl]-2-heptenoic acid (4-benzamidophenyl) ester IUPAC Name: (4-benzamidophenyl) (E)-7-[(1R,2S,3R)-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxybut-1-ynyl]-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,2S,3R)-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxy-but-1-ynyl]-5-keto-cyclopentyl]hept-2-enoic acid (4-benzamidophenyl) ester Formula: C35H35NO7 MolecularWeight: 581.6549

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1=O)CCCCC=CC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C#CC(COC4=CC=CC=C4)O)O

Isomeric SMILES

C1[C@H]([C@@H]([C@H](C1=O)CCCC/C=C/C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C#C[C@H](COC4=CC=CC=C4)O)O

InChI

InChI=1S/C35H35NO7/c37-27(24-42-28-13-7-4-8-14-28)19-22-31-30(32(38)23-33(31)39)15-9-1-2-10-16-34(40)43-29-20-17-26(18-21-29)36-35(41)25-11-5-3-6-12-25/h3-8,10-14,16-18,20-21,27,30-31,33,37,39H,1-2,9,15,23-24H2,(H,36,41)/b16-10+/t27-,30-,31-,33-/m1/s1