9-[4-dodecanoyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-pyrrol-1-yl]nonanoic acid

Systemtic Name: 9-[4-dodecanoyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-pyrrol-1-yl]nonanoic acid Openeye Name: 9-[4-dodecanoyl-2-(2-ethoxy-2-oxo-ethyl)-3,5-dimethyl-pyrrol-1-yl]nonanoic acid CAS Name: 9-[2-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]nonanoic acid IUPAC Name: 9-[4-dodecanoyl-2-(2-ethoxy-2-oxoethyl)-3,5-dimethylpyrrol-1-yl]nonanoic acid Traditional Name: 9-[2-(2-ethoxy-2-keto-ethyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]pelargonic acid Formula: C31H53NO5 MolecularWeight: 519.75622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53NO5/c1-5-7-8-9-10-11-12-15-18-21-28(33)31-25(3)27(24-30(36)37-6-2)32(26(31)4)23-20-17-14-13-16-19-22-29(34)35/h5-24H2,1-4H3,(H,34,35)