8-[4-dodecanoyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-pyrrol-1-yl]octanoic acid

Systemtic Name: 8-[4-dodecanoyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-pyrrol-1-yl]octanoic acid Openeye Name: 8-[4-dodecanoyl-2-(2-ethoxy-2-oxo-ethyl)-3,5-dimethyl-pyrrol-1-yl]octanoic acid CAS Name: 8-[2-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]octanoic acid IUPAC Name: 8-[4-dodecanoyl-2-(2-ethoxy-2-oxoethyl)-3,5-dimethylpyrrol-1-yl]octanoic acid Traditional Name: 8-[2-(2-ethoxy-2-keto-ethyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]caprylic acid Formula: C30H51NO5 MolecularWeight: 505.72964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H51NO5/c1-5-7-8-9-10-11-12-14-17-20-27(32)30-24(3)26(23-29(35)36-6-2)31(25(30)4)22-19-16-13-15-18-21-28(33)34/h5-23H2,1-4H3,(H,33,34)