2-[2-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[2-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]ethanoic acid Openeye Name: 2-[2-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid CAS Name: 2-[2-[[3-(4-octadecoxyphenyl)-1-oxopropyl]amino]phenyl]acetic acid IUPAC Name: 2-[2-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid Traditional Name: 2-[2-[3-(4-stearyloxyphenyl)propanoylamino]phenyl]acetic acid Formula: C35H53NO4 MolecularWeight: 551.79962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2CC(=O)O

InChI

InChI=1S/C35H53NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-40-32-25-22-30(23-26-32)24-27-34(37)36-33-21-18-17-20-31(33)29-35(38)39/h17-18,20-23,25-26H,2-16,19,24,27-29H2,1H3,(H,36,37)(H,38,39)