2-[4-[[(E)-octadec-9-enyl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[(E)-octadec-9-enyl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[(E)-octadec-9-enyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[(E)-octadec-9-enyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[(E)-octadec-9-enyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[(E)-octadec-9-enyl]amino]phenyl]acetic acid Formula: C26H43NO2 MolecularWeight: 401.62512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25-20-18-24(19-21-25)23-26(28)29/h9-10,18-21,27H,2-8,11-17,22-23H2,1H3,(H,28,29)/b10-9+