2-[methyl-(4-octadecoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[methyl-(4-octadecoxyphenyl)amino]ethanoic acid Openeye Name: 2-(N-methyl-4-octadecoxy-anilino)acetic acid CAS Name: 2-(N-methyl-4-octadecoxyanilino)acetic acid IUPAC Name: 2-(N-methyl-4-octadecoxyanilino)acetic acid Traditional Name: 2-(N-methyl-4-stearyloxy-anilino)acetic acid Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N(C)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N(C)CC(=O)O

InChI

InChI=1S/C27H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-26-21-19-25(20-22-26)28(2)24-27(29)30/h19-22H,3-18,23-24H2,1-2H3,(H,29,30)