3-[4-[(2-carboxyoxy-4-dodecanoyl-1H-pyrrol-3-yl)methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-carboxyoxy-4-dodecanoyl-1H-pyrrol-3-yl)methyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-carboxyoxy-4-dodecanoyl-1H-pyrrol-3-yl)methyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-carboxyoxy-4-(1-oxododecyl)-1H-pyrrol-3-yl]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-carboxyoxy-4-dodecanoyl-1H-pyrrol-3-yl)methyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-carboxyoxy-4-lauroyl-1H-pyrrol-3-yl)methyl]phenyl]propionic acid Formula: C27H37NO6 MolecularWeight: 471.58578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CNC(=C1CC2=CC=C(C=C2)CCC(=O)O)OC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CNC(=C1CC2=CC=C(C=C2)CCC(=O)O)OC(=O)O

InChI

InChI=1S/C27H37NO6/c1-2-3-4-5-6-7-8-9-10-11-24(29)23-19-28-26(34-27(32)33)22(23)18-21-14-12-20(13-15-21)16-17-25(30)31/h12-15,19,28H,2-11,16-18H2,1H3,(H,30,31)(H,32,33)