4-[3-[2-(benzimidazol-1-ylmethyl)-3-methyl-pyridin-4-yl]oxypropoxycarbonylamino]benzoic acid

Systemtic Name: 4-[3-[2-(benzimidazol-1-ylmethyl)-3-methyl-pyridin-4-yl]oxypropoxycarbonylamino]benzoic acid Openeye Name: 4-[3-[[2-(benzimidazol-1-ylmethyl)-3-methyl-4-pyridyl]oxy]propoxycarbonylamino]benzoic acid CAS Name: 4-[[3-[[2-(1-benzimidazolylmethyl)-3-methyl-4-pyridinyl]oxy]propoxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[3-[2-(benzimidazol-1-ylmethyl)-3-methylpyridin-4-yl]oxypropoxycarbonylamino]benzoic acid Traditional Name: 4-[3-[[2-(benzimidazol-1-ylmethyl)-3-methyl-4-pyridyl]oxy]propoxycarbonylamino]benzoic acid Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CN2C=NC3=CC=CC=C32)OCCCOC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1CN2C=NC3=CC=CC=C32)OCCCOC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H24N4O5/c1-17-21(15-29-16-27-20-5-2-3-6-22(20)29)26-12-11-23(17)33-13-4-14-34-25(32)28-19-9-7-18(8-10-19)24(30)31/h2-3,5-12,16H,4,13-15H2,1H3,(H,28,32)(H,30,31)