3-[[2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid

Systemtic Name: 3-[[2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Openeye Name: 3-[[2-[4-(cyclohexoxy)-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propanoic acid CAS Name: 3-[[2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid IUPAC Name: 3-[[2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Traditional Name: 3-[[2-[4-(cyclohexoxy)-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propionic acid Formula: C25H26F3NO3S MolecularWeight: 477.53905

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=C(C=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)OC2=C(C=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CNCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C25H26F3NO3S/c26-25(27,28)20-13-17(7-8-21(20)32-19-4-2-1-3-5-19)23-14-18-12-16(6-9-22(18)33-23)15-29-11-10-24(30)31/h6-9,12-14,19,29H,1-5,10-11,15H2,(H,30,31)