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

Systemtic Name: 2-[2-[[1-(3-phenylpropanoyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[[1-(3-phenylpropanoyl)-3-piperidyl]methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[1-(1-oxo-3-phenylpropyl)-3-piperidinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[1-(3-phenylpropanoyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(1-hydrocinnamoyl-3-piperidyl)methylthio]benzimidazol-1-yl]acetic acid Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C24H27N3O3S/c28-22(13-12-18-7-2-1-3-8-18)26-14-6-9-19(15-26)17-31-24-25-20-10-4-5-11-21(20)27(24)16-23(29)30/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,29,30)