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

Systemtic Name: 4-[5-[4-(4-cyclohexyl-4-methoxy-piperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-[4-(4-cyclohexyl-4-methoxy-1-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-[4-(4-cyclohexyl-4-methoxy-1-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-[4-(4-cyclohexyl-4-methoxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[4-(4-cyclohexyl-4-methoxy-piperidino)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCN(CC1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)O)C5CCCCC5

Isomeric SMILES

COC1(CCN(CC1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C27H31N3O3S/c1-33-27(22-5-3-2-4-6-22)15-17-30(18-16-27)23-13-11-20(12-14-23)25-29-28-24(34-25)19-7-9-21(10-8-19)26(31)32/h7-14,22H,2-6,15-18H2,1H3,(H,31,32)