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

Systemtic Name: 3-(henicosanoylamino)-4-methyl-benzoic acid Openeye Name: 3-(henicosanoylamino)-4-methyl-benzoic acid CAS Name: 4-methyl-3-(1-oxoheneicosylamino)benzoic acid IUPAC Name: 3-(henicosanoylamino)-4-methylbenzoic acid Traditional Name: 3-(heneicosanoylamino)-4-methyl-benzoic acid Formula: C29H49NO3 MolecularWeight: 459.70426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C29H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)30-27-24-26(29(32)33)23-22-25(27)2/h22-24H,3-21H2,1-2H3,(H,30,31)(H,32,33)