2-oxidanylideneethyl (E)-2-(4-benzamidophenyl)-7-oxidanyl-5-(2-oxidanylidenecyclopentyl)-3-(2-oxidanyl-3-phenoxy-propoxy)hept-4-enoate

Systemtic Name: 2-oxidanylideneethyl (E)-2-(4-benzamidophenyl)-7-oxidanyl-5-(2-oxidanylidenecyclopentyl)-3-(2-oxidanyl-3-phenoxy-propoxy)hept-4-enoate Openeye Name: 2-oxoethyl (E)-2-(4-benzamidophenyl)-7-hydroxy-3-(2-hydroxy-3-phenoxy-propoxy)-5-(2-oxocyclopentyl)hept-4-enoate CAS Name: (E)-2-(4-benzamidophenyl)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)-4-heptenoic acid 2-oxoethyl ester IUPAC Name: 2-oxoethyl (E)-2-(4-benzamidophenyl)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)hept-4-enoate Traditional Name: (E)-2-(4-benzamidophenyl)-7-hydroxy-3-(2-hydroxy-3-phenoxy-propoxy)-5-(2-ketocyclopentyl)hept-4-enoic acid 2-ketoethyl ester Formula: C36H39NO9 MolecularWeight: 629.69616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)C(=CC(C(C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC=O)OCC(COC4=CC=CC=C4)O)CCO

Isomeric SMILES

C1CC(C(=O)C1)/C(=C/C(C(C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC=O)OCC(COC4=CC=CC=C4)O)/CCO

InChI

InChI=1S/C36H39NO9/c38-19-18-27(31-12-7-13-32(31)41)22-33(46-24-29(40)23-45-30-10-5-2-6-11-30)34(36(43)44-21-20-39)25-14-16-28(17-15-25)37-35(42)26-8-3-1-4-9-26/h1-6,8-11,14-17,20,22,29,31,33-34,38,40H,7,12-13,18-19,21,23-24H2,(H,37,42)/b27-22+