(E)-4-(4-piperidin-1-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid

Systemtic Name: (E)-4-(4-piperidin-1-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Openeye Name: (E)-4-[4-(1-piperidyl)phenyl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid CAS Name: (E)-4-[4-(1-piperidinyl)phenyl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-3-butenoic acid IUPAC Name: (E)-4-(4-piperidin-1-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid Traditional Name: (E)-4-(4-piperidinophenyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoic acid Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C=C(CC(=O)O)C3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)/C=C(\CC(=O)O)/C3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H21N3O3S/c25-19(26)13-17(21-22-20(23-27-21)16-8-11-28-14-16)12-15-4-6-18(7-5-15)24-9-2-1-3-10-24/h4-8,11-12,14H,1-3,9-10,13H2,(H,25,26)/b17-12+