(E,7R)-7-(5-bromanyl-2-oxidanyl-phenyl)-7-(phenylcarbonylcarbamoyloxy)hept-2-enoic acid

Systemtic Name: (E,7R)-7-(5-bromanyl-2-oxidanyl-phenyl)-7-(phenylcarbonylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,7R)-7-(benzoylcarbamoyloxy)-7-(5-bromo-2-hydroxy-phenyl)hept-2-enoic acid CAS Name: (E,7R)-7-[benzamido(oxo)methoxy]-7-(5-bromo-2-hydroxyphenyl)-2-heptenoic acid IUPAC Name: (E,7R)-7-(benzoylcarbamoyloxy)-7-(5-bromo-2-hydroxyphenyl)hept-2-enoic acid Traditional Name: (E,7R)-7-(benzoylcarbamoyloxy)-7-(5-bromo-2-hydroxy-phenyl)hept-2-enoic acid Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=O)OC(CCCC=CC(=O)O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO6/c22-15-11-12-17(24)16(13-15)18(9-5-2-6-10-19(25)26)29-21(28)23-20(27)14-7-3-1-4-8-14/h1,3-4,6-8,10-13,18,24H,2,5,9H2,(H,25,26)(H,23,27,28)/b10-6+/t18-/m1/s1