4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoic acid

Systemtic Name: 4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoic acid Openeye Name: 4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoic acid CAS Name: 4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoic acid IUPAC Name: 4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoic acid Traditional Name: 4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoic acid Formula: C26H33NO3 MolecularWeight: 407.54512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC#CCCCCCCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC#CCCCCCCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C26H33NO3/c1-30-25-19-13-22(14-20-25)12-10-8-6-4-2-3-5-7-9-11-21-27-24-17-15-23(16-18-24)26(28)29/h13-20,27H,2-7,9,11-12,21H2,1H3,(H,28,29)