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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CN(C(=C1)C(=O)O)CC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CN(C(=C1)C(=O)O)CC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C27H37NO5/c1-2-3-4-5-6-7-8-9-10-11-25(29)23-18-24(27(32)33)28(20-23)19-22-14-12-21(13-15-22)16-17-26(30)31/h12-15,18,20H,2-11,16-17,19H2,1H3,(H,30,31)(H,32,33)