3-[4-dodecanoyl-1-(6-ethoxy-6-oxidanylidene-hexyl)-3,5-dimethyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[4-dodecanoyl-1-(6-ethoxy-6-oxidanylidene-hexyl)-3,5-dimethyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[4-dodecanoyl-1-(6-ethoxy-6-oxo-hexyl)-3,5-dimethyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(6-ethoxy-6-oxohexyl)-3,5-dimethyl-4-(1-oxododecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[4-dodecanoyl-1-(6-ethoxy-6-oxohexyl)-3,5-dimethylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(6-ethoxy-6-keto-hexyl)-4-lauroyl-3,5-dimethyl-pyrrol-2-yl]propionic acid Formula: C29H49NO5 MolecularWeight: 491.70306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CCCCCC(=O)OCC)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CCCCCC(=O)OCC)C

InChI

InChI=1S/C29H49NO5/c1-5-7-8-9-10-11-12-13-15-18-26(31)29-23(3)25(20-21-27(32)33)30(24(29)4)22-17-14-16-19-28(34)35-6-2/h5-22H2,1-4H3,(H,32,33)