(E,7R)-7-(1,3-benzodioxol-5-ylcarbamoyloxy)-7-(4-methoxy-3-oxidanyl-phenyl)hept-2-enoic acid

Systemtic Name: (E,7R)-7-(1,3-benzodioxol-5-ylcarbamoyloxy)-7-(4-methoxy-3-oxidanyl-phenyl)hept-2-enoic acid Openeye Name: (E,7R)-7-(1,3-benzodioxol-5-ylcarbamoyloxy)-7-(3-hydroxy-4-methoxy-phenyl)hept-2-enoic acid CAS Name: (E,7R)-7-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-7-(3-hydroxy-4-methoxyphenyl)-2-heptenoic acid IUPAC Name: (E,7R)-7-(1,3-benzodioxol-5-ylcarbamoyloxy)-7-(3-hydroxy-4-methoxyphenyl)hept-2-enoic acid Traditional Name: (E,7R)-7-(1,3-benzodioxol-5-ylcarbamoyloxy)-7-(3-hydroxy-4-methoxy-phenyl)hept-2-enoic acid Formula: C22H23NO8 MolecularWeight: 429.41992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCC=CC(=O)O)OC(=O)NC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CCC/C=C/C(=O)O)OC(=O)NC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C22H23NO8/c1-28-18-9-7-14(11-16(18)24)17(5-3-2-4-6-21(25)26)31-22(27)23-15-8-10-19-20(12-15)30-13-29-19/h4,6-12,17,24H,2-3,5,13H2,1H3,(H,23,27)(H,25,26)/b6-4+/t17-/m1/s1