2-[2-[3-[butoxycarbonyl-(phenylmethyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-[butoxycarbonyl-(phenylmethyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[benzyl(butoxycarbonyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[[butoxy(oxo)methyl]-(phenylmethyl)amino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[benzyl(butoxycarbonyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[benzyl(butoxycarbonyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4S/c1-2-3-15-31-24(30)26(17-19-10-5-4-6-11-19)14-9-16-32-23-25-20-12-7-8-13-21(20)27(23)18-22(28)29/h4-8,10-13H,2-3,9,14-18H2,1H3,(H,28,29)