(E)-4-oxidanylidene-4-(3-phenylmethoxypropylamino)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(3-phenylmethoxypropylamino)but-2-enoic acid Openeye Name: (E)-4-(3-benzyloxypropylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-(3-phenylmethoxypropylamino)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(3-phenylmethoxypropylamino)but-2-enoic acid Traditional Name: (E)-4-(3-benzoxypropylamino)-4-keto-but-2-enoic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H17NO4/c16-13(7-8-14(17)18)15-9-4-10-19-11-12-5-2-1-3-6-12/h1-3,5-8H,4,9-11H2,(H,15,16)(H,17,18)/b8-7+