6-[4-dodecanoyl-2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrrol-1-yl]hexanoic acid

Systemtic Name: 6-[4-dodecanoyl-2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrrol-1-yl]hexanoic acid Openeye Name: 6-[4-dodecanoyl-2-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrrol-1-yl]hexanoic acid CAS Name: 6-[2-(3-methoxy-3-oxopropyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]hexanoic acid IUPAC Name: 6-[4-dodecanoyl-2-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrrol-1-yl]hexanoic acid Traditional Name: 6-[2-(3-keto-3-methoxy-propyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]hexanoic acid Formula: C28H47NO5 MolecularWeight: 477.67648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47NO5/c1-5-6-7-8-9-10-11-12-14-17-25(30)28-22(2)24(19-20-27(33)34-4)29(23(28)3)21-16-13-15-18-26(31)32/h5-21H2,1-4H3,(H,31,32)