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

Systemtic Name: 4-[[2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(3-methoxy-3-oxopropyl)-3,5-dimethyl-4-(1-oxooctadecyl)-1-pyrrolyl]methyl]benzoic acid IUPAC Name: 4-[[2-(3-methoxy-3-oxopropyl)-3,5-dimethyl-4-octadecanoylpyrrol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-(3-keto-3-methoxy-propyl)-3,5-dimethyl-4-stearoyl-pyrrol-1-yl]methyl]benzoic acid Formula: C36H55NO5 MolecularWeight: 581.8256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C36H55NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(38)35-28(2)32(25-26-34(39)42-4)37(29(35)3)27-30-21-23-31(24-22-30)36(40)41/h21-24H,5-20,25-27H2,1-4H3,(H,40,41)