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

Systemtic Name: 4-[3-[4-(5-methoxypentoxymethyl)piperidin-1-yl]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[3-[4-(5-methoxypentoxymethyl)-1-piperidyl]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[3-[4-(5-methoxypentoxymethyl)-1-piperidinyl]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[3-[4-(5-methoxypentoxymethyl)piperidin-1-yl]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[3-[4-(5-methoxypentoxymethyl)piperidino]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCOCC1CCN(CC1)N2C(SC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COCCCCCOCC1CCN(CC1)N2C(SC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H35N3O4S/c1-33-18-6-3-7-19-34-20-21-14-16-29(17-15-21)30-26(23-10-12-24(13-11-23)27(31)32)35-25(28-30)22-8-4-2-5-9-22/h2,4-5,8-13,21,26H,3,6-7,14-20H2,1H3,(H,31,32)