2-[2-[2-(octadecanoylamino)ethylamino]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[2-(octadecanoylamino)ethylamino]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[2-(octadecanoylamino)ethylamino]ethylcarbamoyl]benzoic acid CAS Name: 2-[oxo-[2-[2-(1-oxooctadecylamino)ethylamino]ethylamino]methyl]benzoic acid IUPAC Name: 2-[2-[2-(octadecanoylamino)ethylamino]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-(2-stearamidoethylamino)ethylcarbamoyl]benzoic acid Formula: C30H51N3O4 MolecularWeight: 517.74364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C30H51N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(34)32-24-22-31-23-25-33-29(35)26-19-17-18-20-27(26)30(36)37/h17-20,31H,2-16,21-25H2,1H3,(H,32,34)(H,33,35)(H,36,37)