(E,2S)-4-(1,3-benzodioxol-5-yl)-2-(phenylmethoxycarbonylamino)but-3-enoic acid

Systemtic Name: (E,2S)-4-(1,3-benzodioxol-5-yl)-2-(phenylmethoxycarbonylamino)but-3-enoic acid Openeye Name: (E,2S)-4-(1,3-benzodioxol-5-yl)-2-(benzyloxycarbonylamino)but-3-enoic acid CAS Name: (E,2S)-4-(1,3-benzodioxol-5-yl)-2-(phenylmethoxycarbonylamino)-3-butenoic acid IUPAC Name: (E,2S)-4-(1,3-benzodioxol-5-yl)-2-(phenylmethoxycarbonylamino)but-3-enoic acid Traditional Name: (E,2S)-4-(1,3-benzodioxol-5-yl)-2-(benzyloxycarbonylamino)but-3-enoic acid Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H17NO6/c21-18(22)15(20-19(23)24-11-14-4-2-1-3-5-14)8-6-13-7-9-16-17(10-13)26-12-25-16/h1-10,15H,11-12H2,(H,20,23)(H,21,22)/b8-6+/t15-/m0/s1