(E)-4-oxidanyl-2-oxidanylidene-4-[1-(4-phenoxybutyl)pyrrol-2-yl]but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-[1-(4-phenoxybutyl)pyrrol-2-yl]but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-[1-(4-phenoxybutyl)pyrrol-2-yl]but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[1-(4-phenoxybutyl)-2-pyrrolyl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-[1-(4-phenoxybutyl)pyrrol-2-yl]but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[1-(4-phenoxybutyl)pyrrol-2-yl]but-3-enoic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCN2C=CC=C2C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCN2C=CC=C2/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C18H19NO5/c20-16(13-17(21)18(22)23)15-9-6-11-19(15)10-4-5-12-24-14-7-2-1-3-8-14/h1-3,6-9,11,13,20H,4-5,10,12H2,(H,22,23)/b16-13+