(E)-4-oxidanylidene-4-[6-oxidanylidene-6-(4-pyrrolidin-1-ylphenyl)hexoxy]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[6-oxidanylidene-6-(4-pyrrolidin-1-ylphenyl)hexoxy]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[6-oxo-6-(4-pyrrolidin-1-ylphenyl)hexoxy]but-2-enoic acid CAS Name: (E)-4-oxo-4-[6-oxo-6-[4-(1-pyrrolidinyl)phenyl]hexoxy]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[6-oxo-6-(4-pyrrolidin-1-ylphenyl)hexoxy]but-2-enoic acid Traditional Name: (E)-4-keto-4-[6-keto-6-(4-pyrrolidinophenyl)hexoxy]but-2-enoic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=O)CCCCCOC(=O)C=CC(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=O)CCCCCOC(=O)/C=C/C(=O)O

InChI

InChI=1S/C20H25NO5/c22-18(6-2-1-5-15-26-20(25)12-11-19(23)24)16-7-9-17(10-8-16)21-13-3-4-14-21/h7-12H,1-6,13-15H2,(H,23,24)/b12-11+