(E,6S,7S)-7-(5-bromanyl-2-oxidanyl-phenyl)-6-phenoxy-7-(phenylcarbamoyloxy)hept-2-enoic acid

Systemtic Name: (E,6S,7S)-7-(5-bromanyl-2-oxidanyl-phenyl)-6-phenoxy-7-(phenylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,6S,7S)-7-(5-bromo-2-hydroxy-phenyl)-6-phenoxy-7-(phenylcarbamoyloxy)hept-2-enoic acid CAS Name: (E,6S,7S)-7-[anilino(oxo)methoxy]-7-(5-bromo-2-hydroxyphenyl)-6-phenoxy-2-heptenoic acid IUPAC Name: (E,6S,7S)-7-(5-bromo-2-hydroxyphenyl)-6-phenoxy-7-(phenylcarbamoyloxy)hept-2-enoic acid Traditional Name: (E,6S,7S)-7-(5-bromo-2-hydroxy-phenyl)-6-phenoxy-7-(phenylcarbamoyloxy)hept-2-enoic acid Formula: C26H24BrNO6 MolecularWeight: 526.37586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)OC(C2=C(C=CC(=C2)Br)O)C(CCC=CC(=O)O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)O[C@@H](C2=C(C=CC(=C2)Br)O)[C@H](CC/C=C/C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C26H24BrNO6/c27-18-15-16-22(29)21(17-18)25(34-26(32)28-19-9-3-1-4-10-19)23(13-7-8-14-24(30)31)33-20-11-5-2-6-12-20/h1-6,8-12,14-17,23,25,29H,7,13H2,(H,28,32)(H,30,31)/b14-8+/t23-,25-/m0/s1