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4-[12-(3-methylphenyl)dodec-10-ynylamino]benzoic acid

4-[12-(3-methylphenyl)dodec-10-ynylamino]benzoic acid

Systemtic Name:4-[12-(3-methylphenyl)dodec-10-ynylamino]benzoic acid
Openeye Name:4-[12-(m-tolyl)dodec-10-ynylamino]benzoic acid
CAS Name:4-[12-(3-methylphenyl)dodec-10-ynylamino]benzoic acid
IUPAC Name:4-[12-(3-methylphenyl)dodec-10-ynylamino]benzoic acid
Traditional Name:4-[12-(m-tolyl)dodec-10-ynylamino]benzoic acid
Formula: C26H33NO2
MolecularWeight: 391.54572
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC#CCCCCCCCCCNC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

CC1=CC(=CC=C1)CC#CCCCCCCCCCNC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C26H33NO2/c1-22-13-12-15-23(21-22)14-10-8-6-4-2-3-5-7-9-11-20-27-25-18-16-24(17-19-25)26(28)29/h12-13,15-19,21,27H,2-7,9,11,14,20H2,1H3,(H,28,29)


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