ethyl 3-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]propanoate Openeye Name: ethyl 3-[4-[(5-octyl-2-thienyl)methylamino]phenyl]propanoate CAS Name: 3-[4-[(5-octyl-2-thiophenyl)methylamino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]propanoate Traditional Name: 3-[4-[(5-octyl-2-thienyl)methylamino]phenyl]propionic acid ethyl ester Formula: C24H35NO2S MolecularWeight: 401.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(S1)CNC2=CC=C(C=C2)CCC(=O)OCC

Isomeric SMILES

CCCCCCCCC1=CC=C(S1)CNC2=CC=C(C=C2)CCC(=O)OCC

InChI

InChI=1S/C24H35NO2S/c1-3-5-6-7-8-9-10-22-16-17-23(28-22)19-25-21-14-11-20(12-15-21)13-18-24(26)27-4-2/h11-12,14-17,25H,3-10,13,18-19H2,1-2H3