3-azanyl-5-(octadecanoylamino)benzoic acid

Systemtic Name: 3-azanyl-5-(octadecanoylamino)benzoic acid Openeye Name: 3-amino-5-(octadecanoylamino)benzoic acid CAS Name: 3-amino-5-(1-oxooctadecylamino)benzoic acid IUPAC Name: 3-amino-5-(octadecanoylamino)benzoic acid Traditional Name: 3-amino-5-stearamido-benzoic acid Formula: C25H42N2O3 MolecularWeight: 418.61258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-23-19-21(25(29)30)18-22(26)20-23/h18-20H,2-17,26H2,1H3,(H,27,28)(H,29,30)