3-(1,3-benzodioxol-5-yl)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(benzyloxycarbonylamino)-3-hydroxy-propionic acid Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C18H17NO7/c20-16(12-6-7-13-14(8-12)26-10-25-13)15(17(21)22)19-18(23)24-9-11-4-2-1-3-5-11/h1-8,15-16,20H,9-10H2,(H,19,23)(H,21,22)