2-(1-dodecyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)ethanoic acid

Systemtic Name: 2-(1-dodecyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)ethanoic acid Openeye Name: 2-(1-dodecyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)acetic acid CAS Name: 2-[1-dodecyl-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-(1-dodecyl-3,5-dimethyl-4-octadecanoylpyrrol-2-yl)acetic acid Traditional Name: 2-(1-lauryl-3,5-dimethyl-4-stearoyl-pyrrol-2-yl)acetic acid Formula: C38H69NO3 MolecularWeight: 587.95936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H69NO3/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-36(40)38-33(3)35(32-37(41)42)39(34(38)4)31-29-27-25-23-16-14-12-10-8-6-2/h5-32H2,1-4H3,(H,41,42)