3-[4-(diphenylmethyl)oxypiperidin-1-yl]-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-hexanoic acid

Systemtic Name: 3-[4-(diphenylmethyl)oxypiperidin-1-yl]-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-hexanoic acid Openeye Name: 3-(4-benzhydryloxy-1-piperidyl)-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-hexanoic acid CAS Name: 3-[4-(diphenylmethyl)oxy-1-piperidinyl]-2-(2-imidazo[1,2-b]pyridazinyl)-2-methylhexanoic acid IUPAC Name: 3-(4-benzhydryloxypiperidin-1-yl)-2-imidazo[1,2-b]pyridazin-2-yl-2-methylhexanoic acid Traditional Name: 3-(4-benzhydryloxypiperidino)-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-hexanoic acid Formula: C31H36N4O3 MolecularWeight: 512.64254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C1=CN2C(=N1)C=CC=N2)C(=O)O)N3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC(C(C)(C1=CN2C(=N1)C=CC=N2)C(=O)O)N3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H36N4O3/c1-3-11-27(31(2,30(36)37)26-22-35-28(33-26)16-10-19-32-35)34-20-17-25(18-21-34)38-29(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-10,12-16,19,22,25,27,29H,3,11,17-18,20-21H2,1-2H3,(H,36,37)