4-[5-[4-(4-propoxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-[4-(4-propoxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-[4-(4-propoxy-1-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-[4-(4-propoxy-1-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-[4-(4-propoxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[4-(4-propoxypiperidino)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCOC1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H25N3O3S/c1-2-15-29-20-11-13-26(14-12-20)19-9-7-17(8-10-19)22-25-24-21(30-22)16-3-5-18(6-4-16)23(27)28/h3-10,20H,2,11-15H2,1H3,(H,27,28)