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

Systemtic Name: 4-[5-(1-octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(1-octyl-4-piperidyl)-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-(1-octyl-4-piperidinyl)-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(1-octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-(1-octyl-4-piperidyl)-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCN1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H31N3O2S/c1-2-3-4-5-6-7-14-25-15-12-18(13-16-25)21-24-23-20(28-21)17-8-10-19(11-9-17)22(26)27/h8-11,18H,2-7,12-16H2,1H3,(H,26,27)