8-[2,5-bis(oxidanylidene)-3-phenyl-pyrrol-1-yl]octanoic acid

Systemtic Name: 8-[2,5-bis(oxidanylidene)-3-phenyl-pyrrol-1-yl]octanoic acid Openeye Name: 8-(2,5-dioxo-3-phenyl-pyrrol-1-yl)octanoic acid CAS Name: 8-(2,5-dioxo-3-phenyl-1-pyrrolyl)octanoic acid IUPAC Name: 8-(2,5-dioxo-3-phenylpyrrol-1-yl)octanoic acid Traditional Name: 8-(2,5-diketo-3-phenyl-3-pyrrolin-1-yl)caprylic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(C2=O)CCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(C2=O)CCCCCCCC(=O)O

InChI

InChI=1S/C18H21NO4/c20-16-13-15(14-9-5-4-6-10-14)18(23)19(16)12-8-3-1-2-7-11-17(21)22/h4-6,9-10,13H,1-3,7-8,11-12H2,(H,21,22)