4-(icosanoylamino)-3-methyl-benzoic acid

Systemtic Name: 4-(icosanoylamino)-3-methyl-benzoic acid Openeye Name: 4-(icosanoylamino)-3-methyl-benzoic acid CAS Name: 3-methyl-4-(1-oxoeicosylamino)benzoic acid IUPAC Name: 4-(icosanoylamino)-3-methylbenzoic acid Traditional Name: 4-(eicosanoylamino)-3-methyl-benzoic acid Formula: C28H47NO3 MolecularWeight: 445.67768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)C

InChI

InChI=1S/C28H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)29-26-22-21-25(28(31)32)23-24(26)2/h21-23H,3-20H2,1-2H3,(H,29,30)(H,31,32)