2-[butyl(octadecanoyl)amino]benzoic acid

Systemtic Name: 2-[butyl(octadecanoyl)amino]benzoic acid Openeye Name: 2-[butyl(octadecanoyl)amino]benzoic acid CAS Name: 2-[butyl(1-oxooctadecyl)amino]benzoic acid IUPAC Name: 2-[butyl(octadecanoyl)amino]benzoic acid Traditional Name: 2-[butyl(stearoyl)amino]benzoic acid Formula: C29H49NO3 MolecularWeight: 459.70426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(CCCC)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(CCCC)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C29H49NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28(31)30(25-6-4-2)27-23-21-20-22-26(27)29(32)33/h20-23H,3-19,24-25H2,1-2H3,(H,32,33)