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

Systemtic Name: 2-[2-[[1-(3-cyclopentylpropanoyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[[1-(3-cyclopentylpropanoyl)-3-piperidyl]methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[1-(3-cyclopentyl-1-oxopropyl)-3-piperidinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[1-(3-cyclopentylpropanoyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[[1-(3-cyclopentylpropanoyl)-3-piperidyl]methylthio]benzimidazol-1-yl]acetic acid Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCCC(C2)CSC3=NC4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCCC(C2)CSC3=NC4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C23H31N3O3S/c27-21(12-11-17-6-1-2-7-17)25-13-5-8-18(14-25)16-30-23-24-19-9-3-4-10-20(19)26(23)15-22(28)29/h3-4,9-10,17-18H,1-2,5-8,11-16H2,(H,28,29)