4-methyl-3-(octadecanoylamino)benzoic acid

Systemtic Name: 4-methyl-3-(octadecanoylamino)benzoic acid Openeye Name: 4-methyl-3-(octadecanoylamino)benzoic acid CAS Name: 4-methyl-3-(1-oxooctadecylamino)benzoic acid IUPAC Name: 4-methyl-3-(octadecanoylamino)benzoic acid Traditional Name: 4-methyl-3-stearamido-benzoic acid Formula: C26H43NO3 MolecularWeight: 417.62452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)27-24-21-23(26(29)30)20-19-22(24)2/h19-21H,3-18H2,1-2H3,(H,27,28)(H,29,30)