ethyl 2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]acetate CAS Name: 2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]acetate Traditional Name: 2-[4-[12-(4-methoxyphenyl)dodec-10-ynylamino]phenyl]acetic acid ethyl ester Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NCCCCCCCCCC#CCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NCCCCCCCCCC#CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C29H39NO3/c1-3-33-29(31)24-26-15-19-27(20-16-26)30-23-13-11-9-7-5-4-6-8-10-12-14-25-17-21-28(32-2)22-18-25/h15-22,30H,3-9,11,13-14,23-24H2,1-2H3