4-[[4-[(Z)-3-cyano-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]phenoxy]methyl]-4-oxidanyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[[4-[(Z)-3-cyano-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]phenoxy]methyl]-4-oxidanyl-piperidine-1-carboxylic acid Openeye Name: 4-[[4-[(Z)-2-cyano-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]phenoxy]methyl]-4-hydroxy-piperidine-1-carboxylic acid CAS Name: 4-[[4-[(Z)-3-cyano-4-ethoxy-4-oxobut-2-en-2-yl]phenoxy]methyl]-4-hydroxy-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-[(Z)-3-cyano-4-ethoxy-4-oxobut-2-en-2-yl]phenoxy]methyl]-4-hydroxypiperidine-1-carboxylic acid Traditional Name: 4-[[4-[(Z)-2-cyano-3-ethoxy-3-keto-1-methyl-prop-1-enyl]phenoxy]methyl]-4-hydroxy-piperidine-1-carboxylic acid Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)C1=CC=C(C=C1)OCC2(CCN(CC2)C(=O)O)O)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/C)\C1=CC=C(C=C1)OCC2(CCN(CC2)C(=O)O)O)/C#N

InChI

InChI=1S/C20H24N2O6/c1-3-27-18(23)17(12-21)14(2)15-4-6-16(7-5-15)28-13-20(26)8-10-22(11-9-20)19(24)25/h4-7,26H,3,8-11,13H2,1-2H3,(H,24,25)/b17-14-