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

Systemtic Name: 3-[[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Openeye Name: 3-[[2-[4-(1-piperidyl)-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propanoic acid CAS Name: 3-[[2-[4-(1-piperidinyl)-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid IUPAC Name: 3-[[2-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid Traditional Name: 3-[[2-[4-piperidino-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propionic acid Formula: C24H25F3N2O2S MolecularWeight: 462.52771

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C3=CC4=C(S3)C=CC(=C4)CNCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C24H25F3N2O2S/c25-24(26,27)19-13-17(5-6-20(19)29-10-2-1-3-11-29)22-14-18-12-16(4-7-21(18)32-22)15-28-9-8-23(30)31/h4-7,12-14,28H,1-3,8-11,15H2,(H,30,31)