3,3-bis(fluoranyl)-4-(2-methoxyethoxymethoxy)-2-(phenylmethoxycarbonylamino)pent-4-enoic acid

Systemtic Name: 3,3-bis(fluoranyl)-4-(2-methoxyethoxymethoxy)-2-(phenylmethoxycarbonylamino)pent-4-enoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3,3-difluoro-4-(2-methoxyethoxymethoxy)pent-4-enoic acid CAS Name: 3,3-difluoro-4-(2-methoxyethoxymethoxy)-2-(phenylmethoxycarbonylamino)-4-pentenoic acid IUPAC Name: 3,3-difluoro-4-(2-methoxyethoxymethoxy)-2-(phenylmethoxycarbonylamino)pent-4-enoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3,3-difluoro-4-(2-methoxyethoxymethoxy)pent-4-enoic acid Formula: C17H21F2NO7 MolecularWeight: 389.347946

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC(=C)C(C(C(=O)O)NC(=O)OCC1=CC=CC=C1)(F)F

Isomeric SMILES

COCCOCOC(=C)C(C(C(=O)O)NC(=O)OCC1=CC=CC=C1)(F)F

InChI

InChI=1S/C17H21F2NO7/c1-12(27-11-25-9-8-24-2)17(18,19)14(15(21)22)20-16(23)26-10-13-6-4-3-5-7-13/h3-7,14H,1,8-11H2,2H3,(H,20,23)(H,21,22)