(E,6S,7S)-7-(5-bromanyl-2-oxidanyl-phenyl)-6-ethoxy-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid

Systemtic Name: (E,6S,7S)-7-(5-bromanyl-2-oxidanyl-phenyl)-6-ethoxy-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,6S,7S)-7-(5-bromo-2-hydroxy-phenyl)-6-ethoxy-7-(1-naphthylcarbamoyloxy)hept-2-enoic acid CAS Name: (E,6S,7S)-7-(5-bromo-2-hydroxyphenyl)-6-ethoxy-7-[(1-naphthalenylamino)-oxomethoxy]-2-heptenoic acid IUPAC Name: (E,6S,7S)-7-(5-bromo-2-hydroxyphenyl)-6-ethoxy-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid Traditional Name: (E,6S,7S)-7-(5-bromo-2-hydroxy-phenyl)-6-ethoxy-7-(1-naphthylcarbamoyloxy)hept-2-enoic acid Formula: C26H26BrNO6 MolecularWeight: 528.39174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCC=CC(=O)O)C(C1=C(C=CC(=C1)Br)O)OC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCO[C@@H](CC/C=C/C(=O)O)[C@H](C1=C(C=CC(=C1)Br)O)OC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H26BrNO6/c1-2-33-23(12-5-6-13-24(30)31)25(20-16-18(27)14-15-22(20)29)34-26(32)28-21-11-7-9-17-8-3-4-10-19(17)21/h3-4,6-11,13-16,23,25,29H,2,5,12H2,1H3,(H,28,32)(H,30,31)/b13-6+/t23-,25-/m0/s1