2-[2-[[1-(2,2-diphenylethanoyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[1-(2,2-diphenylethanoyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[[1-(2,2-diphenylacetyl)-3-piperidyl]methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[1-(1-oxo-2,2-diphenylethyl)-3-piperidinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[1-(2,2-diphenylacetyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[[1-(2,2-diphenylacetyl)-3-piperidyl]methylthio]benzimidazol-1-yl]acetic acid Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4CC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4CC(=O)O

InChI

InChI=1S/C29H29N3O3S/c33-26(34)19-32-25-16-8-7-15-24(25)30-29(32)36-20-21-10-9-17-31(18-21)28(35)27(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-8,11-16,21,27H,9-10,17-20H2,(H,33,34)