3-[4-dodecanoyl-2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[4-dodecanoyl-2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrrol-1-yl]propanoic acid Openeye Name: 3-[4-dodecanoyl-2-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrrol-1-yl]propanoic acid CAS Name: 3-[2-(3-methoxy-3-oxopropyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]propanoic acid IUPAC Name: 3-[4-dodecanoyl-2-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrrol-1-yl]propanoic acid Traditional Name: 3-[2-(3-keto-3-methoxy-propyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]propionic acid Formula: C25H41NO5 MolecularWeight: 435.59674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CCC(=O)O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CCC(=O)O)C

InChI

InChI=1S/C25H41NO5/c1-5-6-7-8-9-10-11-12-13-14-22(27)25-19(2)21(15-16-24(30)31-4)26(20(25)3)18-17-23(28)29/h5-18H2,1-4H3,(H,28,29)