(E)-4-oxidanylidene-4-[[1-(phenylmethyl)piperidin-4-yl]methylperoxy]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[1-(phenylmethyl)piperidin-4-yl]methylperoxy]but-2-enoic acid Openeye Name: (E)-4-[(1-benzyl-4-piperidyl)methylperoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[[1-(phenylmethyl)-4-piperidinyl]methyldioxy]-2-butenoic acid IUPAC Name: (E)-4-[(1-benzylpiperidin-4-yl)methylperoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(1-benzyl-4-piperidyl)methylperoxy]-4-keto-but-2-enoic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COOC(=O)C=CC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1COOC(=O)/C=C/C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H21NO5/c19-16(20)6-7-17(21)23-22-13-15-8-10-18(11-9-15)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,19,20)/b7-6+