2-[(3-octadecoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[(3-octadecoxyphenyl)amino]ethanoic acid Openeye Name: 2-(3-octadecoxyanilino)acetic acid CAS Name: 2-(3-octadecoxyanilino)acetic acid IUPAC Name: 2-(3-octadecoxyanilino)acetic acid Traditional Name: 2-(3-stearyloxyanilino)acetic acid Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)NCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)NCC(=O)O

InChI

InChI=1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-25-20-18-19-24(22-25)27-23-26(28)29/h18-20,22,27H,2-17,21,23H2,1H3,(H,28,29)