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

Systemtic Name: (E,5R)-5-(1,3-benzodioxol-5-ylcarbamoyloxy)-5-(4-methoxy-3-oxidanyl-phenyl)pent-2-enoic acid Openeye Name: (E,5R)-5-(1,3-benzodioxol-5-ylcarbamoyloxy)-5-(3-hydroxy-4-methoxy-phenyl)pent-2-enoic acid CAS Name: (E,5R)-5-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-5-(3-hydroxy-4-methoxyphenyl)-2-pentenoic acid IUPAC Name: (E,5R)-5-(1,3-benzodioxol-5-ylcarbamoyloxy)-5-(3-hydroxy-4-methoxyphenyl)pent-2-enoic acid Traditional Name: (E,5R)-5-(1,3-benzodioxol-5-ylcarbamoyloxy)-5-(3-hydroxy-4-methoxy-phenyl)pent-2-enoic acid Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO8/c1-26-16-7-5-12(9-14(16)22)15(3-2-4-19(23)24)29-20(25)21-13-6-8-17-18(10-13)28-11-27-17/h2,4-10,15,22H,3,11H2,1H3,(H,21,25)(H,23,24)/b4-2+/t15-/m1/s1