(E)-4-oxidanylidene-4-[2-oxidanyl-1-(4-phenylbutylamino)propyl]peroxy-but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[2-oxidanyl-1-(4-phenylbutylamino)propyl]peroxy-but-2-enoic acid Openeye Name: (E)-4-[2-hydroxy-1-(4-phenylbutylamino)propyl]peroxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-hydroxy-1-(4-phenylbutylamino)propyl]dioxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-hydroxy-1-(4-phenylbutylamino)propyl]peroxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-hydroxy-1-(4-phenylbutylamino)propyl]peroxy-4-keto-but-2-enoic acid Formula: C17H23NO6 MolecularWeight: 337.36762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(NCCCCC1=CC=CC=C1)OOC(=O)C=CC(=O)O)O

Isomeric SMILES

CC(C(NCCCCC1=CC=CC=C1)OOC(=O)/C=C/C(=O)O)O

InChI

InChI=1S/C17H23NO6/c1-13(19)17(24-23-16(22)11-10-15(20)21)18-12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13,17-19H,5-6,9,12H2,1H3,(H,20,21)/b11-10+