2-(4-dodecanoyl-1,3,5-trimethyl-pyrrol-2-yl)ethanoic acid

Systemtic Name: 2-(4-dodecanoyl-1,3,5-trimethyl-pyrrol-2-yl)ethanoic acid Openeye Name: 2-(4-dodecanoyl-1,3,5-trimethyl-pyrrol-2-yl)acetic acid CAS Name: 2-[1,3,5-trimethyl-4-(1-oxododecyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-(4-dodecanoyl-1,3,5-trimethylpyrrol-2-yl)acetic acid Traditional Name: 2-(4-lauroyl-1,3,5-trimethyl-pyrrol-2-yl)acetic acid Formula: C21H35NO3 MolecularWeight: 349.5075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)O)C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)O)C)C

InChI

InChI=1S/C21H35NO3/c1-5-6-7-8-9-10-11-12-13-14-19(23)21-16(2)18(15-20(24)25)22(4)17(21)3/h5-15H2,1-4H3,(H,24,25)