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

Systemtic Name: 6-[2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]hexanoic acid Openeye Name: 6-[2-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]hexanoic acid CAS Name: 6-[2-(3-methoxy-3-oxopropyl)-3,5-dimethyl-4-(1-oxooctadecyl)-1-pyrrolyl]hexanoic acid IUPAC Name: 6-[2-(3-methoxy-3-oxopropyl)-3,5-dimethyl-4-octadecanoylpyrrol-1-yl]hexanoic acid Traditional Name: 6-[2-(3-keto-3-methoxy-propyl)-3,5-dimethyl-4-stearoyl-pyrrol-1-yl]hexanoic acid Formula: C34H59NO5 MolecularWeight: 561.83596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H59NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-31(36)34-28(2)30(25-26-33(39)40-4)35(29(34)3)27-22-19-21-24-32(37)38/h5-27H2,1-4H3,(H,37,38)