3-[[4-(2-carboxyethyl)phenyl]methyl]-4-dodecanoyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-[[4-(2-carboxyethyl)phenyl]methyl]-4-dodecanoyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[[4-(2-carboxyethyl)phenyl]methyl]-4-dodecanoyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[[4-(2-carboxyethyl)phenyl]methyl]-4-(1-oxododecyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[[4-(2-carboxyethyl)phenyl]methyl]-4-dodecanoyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[4-(2-carboxyethyl)benzyl]-4-lauroyl-1H-pyrrole-2-carboxylic acid Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO5/c1-2-3-4-5-6-7-8-9-10-11-24(29)23-19-28-26(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)