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ethyl 4-[12-(3-methylphenyl)dodec-10-ynylamino]benzoate

ethyl 4-[12-(3-methylphenyl)dodec-10-ynylamino]benzoate

Systemtic Name:ethyl 4-[12-(3-methylphenyl)dodec-10-ynylamino]benzoate
Openeye Name:ethyl 4-[12-(m-tolyl)dodec-10-ynylamino]benzoate
CAS Name:4-[12-(3-methylphenyl)dodec-10-ynylamino]benzoic acid ethyl ester
IUPAC Name:ethyl 4-[12-(3-methylphenyl)dodec-10-ynylamino]benzoate
Traditional Name:4-[12-(m-tolyl)dodec-10-ynylamino]benzoic acid ethyl ester
Formula: C28H37NO2
MolecularWeight: 419.59888
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCC#CCC2=CC=CC(=C2)C


Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCC#CCC2=CC=CC(=C2)C


InChI

InChI=1S/C28H37NO2/c1-3-31-28(30)26-18-20-27(21-19-26)29-22-13-11-9-7-5-4-6-8-10-12-16-25-17-14-15-24(2)23-25/h14-15,17-21,23,29H,3-9,11,13,16,22H2,1-2H3


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