(E,6S,7S)-6-ethoxy-7-(4-hydroxyphenyl)-7-(phenylcarbonylcarbamoyloxy)hept-2-enoic acid

Systemtic Name: (E,6S,7S)-6-ethoxy-7-(4-hydroxyphenyl)-7-(phenylcarbonylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,6S,7S)-7-(benzoylcarbamoyloxy)-6-ethoxy-7-(4-hydroxyphenyl)hept-2-enoic acid CAS Name: (E,6S,7S)-7-[benzamido(oxo)methoxy]-6-ethoxy-7-(4-hydroxyphenyl)-2-heptenoic acid IUPAC Name: (E,6S,7S)-7-(benzoylcarbamoyloxy)-6-ethoxy-7-(4-hydroxyphenyl)hept-2-enoic acid Traditional Name: (E,6S,7S)-7-(benzoylcarbamoyloxy)-6-ethoxy-7-(4-hydroxyphenyl)hept-2-enoic acid Formula: C23H25NO7 MolecularWeight: 427.4471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCC=CC(=O)O)C(C1=CC=C(C=C1)O)OC(=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCO[C@@H](CC/C=C/C(=O)O)[C@H](C1=CC=C(C=C1)O)OC(=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H25NO7/c1-2-30-19(10-6-7-11-20(26)27)21(16-12-14-18(25)15-13-16)31-23(29)24-22(28)17-8-4-3-5-9-17/h3-5,7-9,11-15,19,21,25H,2,6,10H2,1H3,(H,26,27)(H,24,28,29)/b11-7+/t19-,21-/m0/s1