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

Systemtic Name: ethyl 4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoate Openeye Name: ethyl 4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoate CAS Name: 4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoate Traditional Name: 4-[12-(4-methoxyphenyl)dodec-10-ynylamino]benzoic acid ethyl ester Formula: C28H37NO3 MolecularWeight: 435.59828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO3/c1-3-32-28(30)25-17-19-26(20-18-25)29-23-13-11-9-7-5-4-6-8-10-12-14-24-15-21-27(31-2)22-16-24/h15-22,29H,3-9,11,13-14,23H2,1-2H3