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2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]ethanoic acid

2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]ethanoic acid

Systemtic Name:2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]ethanoic acid
Openeye Name:2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]acetic acid
CAS Name:2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]acetic acid
IUPAC Name:2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]acetic acid
Traditional Name:2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]acetic acid
Formula: C27H35NO3
MolecularWeight: 421.5717
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H35NO3/c1-31-26-19-15-23(16-20-26)12-10-8-6-4-2-3-5-7-9-11-21-28-25-17-13-24(14-18-25)22-27(29)30/h13-20,28H,2-7,9,11-12,21-22H2,1H3,(H,29,30)


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