2-azanyl-3-octadecanoyloxy-benzoic acid

Systemtic Name: 2-azanyl-3-octadecanoyloxy-benzoic acid Openeye Name: 2-amino-3-octadecanoyloxy-benzoic acid CAS Name: 2-amino-3-(1-oxooctadecoxy)benzoic acid IUPAC Name: 2-amino-3-octadecanoyloxybenzoic acid Traditional Name: 2-amino-3-stearoyloxy-benzoic acid Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC(=C1N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC(=C1N)C(=O)O

InChI

InChI=1S/C25H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)30-22-19-17-18-21(24(22)26)25(28)29/h17-19H,2-16,20,26H2,1H3,(H,28,29)