(E,7R)-7-(1,3-benzodioxol-5-ylcarbamoyloxy)-7-(4-oxidanylnaphthalen-1-yl)hept-2-enoic acid

Systemtic Name: (E,7R)-7-(1,3-benzodioxol-5-ylcarbamoyloxy)-7-(4-oxidanylnaphthalen-1-yl)hept-2-enoic acid Openeye Name: (E,7R)-7-(1,3-benzodioxol-5-ylcarbamoyloxy)-7-(4-hydroxy-1-naphthyl)hept-2-enoic acid CAS Name: (E,7R)-7-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-7-(4-hydroxy-1-naphthalenyl)-2-heptenoic acid IUPAC Name: (E,7R)-7-(1,3-benzodioxol-5-ylcarbamoyloxy)-7-(4-hydroxynaphthalen-1-yl)hept-2-enoic acid Traditional Name: (E,7R)-7-(1,3-benzodioxol-5-ylcarbamoyloxy)-7-(4-hydroxy-1-naphthyl)hept-2-enoic acid Formula: C25H23NO7 MolecularWeight: 449.45262

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)OC(CCCC=CC(=O)O)C3=CC=C(C4=CC=CC=C43)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)O[C@H](CCC/C=C/C(=O)O)C3=CC=C(C4=CC=CC=C43)O

InChI

InChI=1S/C25H23NO7/c27-20-12-11-19(17-6-4-5-7-18(17)20)21(8-2-1-3-9-24(28)29)33-25(30)26-16-10-13-22-23(14-16)32-15-31-22/h3-7,9-14,21,27H,1-2,8,15H2,(H,26,30)(H,28,29)/b9-3+/t21-/m1/s1