3-[4-[[(E)-10-thiophen-2-yldec-9-enyl]amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[(E)-10-thiophen-2-yldec-9-enyl]amino]phenyl]propanoic acid Openeye Name: 3-[4-[[(E)-10-(2-thienyl)dec-9-enyl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[(E)-10-thiophen-2-yldec-9-enyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[[(E)-10-thiophen-2-yldec-9-enyl]amino]phenyl]propanoic acid Traditional Name: 3-[4-[[(E)-10-(2-thienyl)dec-9-enyl]amino]phenyl]propionic acid Formula: C23H31NO2S MolecularWeight: 385.56274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CCCCCCCCCNC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)/C=C/CCCCCCCCNC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C23H31NO2S/c25-23(26)17-14-20-12-15-21(16-13-20)24-18-8-6-4-2-1-3-5-7-10-22-11-9-19-27-22/h7,9-13,15-16,19,24H,1-6,8,14,17-18H2,(H,25,26)/b10-7+