ethyl 4-[3-[2-(benzimidazol-1-ylmethyl)-3-methyl-pyridin-4-yl]oxypropoxycarbonylamino]benzoate

Systemtic Name: ethyl 4-[3-[2-(benzimidazol-1-ylmethyl)-3-methyl-pyridin-4-yl]oxypropoxycarbonylamino]benzoate Openeye Name: ethyl 4-[3-[[2-(benzimidazol-1-ylmethyl)-3-methyl-4-pyridyl]oxy]propoxycarbonylamino]benzoate CAS Name: 4-[[3-[[2-(1-benzimidazolylmethyl)-3-methyl-4-pyridinyl]oxy]propoxy-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(benzimidazol-1-ylmethyl)-3-methylpyridin-4-yl]oxypropoxycarbonylamino]benzoate Traditional Name: 4-[3-[[2-(benzimidazol-1-ylmethyl)-3-methyl-4-pyridyl]oxy]propoxycarbonylamino]benzoic acid ethyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)OCCCOC2=C(C(=NC=C2)CN3C=NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)OCCCOC2=C(C(=NC=C2)CN3C=NC4=CC=CC=C43)C

InChI

InChI=1S/C27H28N4O5/c1-3-34-26(32)20-9-11-21(12-10-20)30-27(33)36-16-6-15-35-25-13-14-28-23(19(25)2)17-31-18-29-22-7-4-5-8-24(22)31/h4-5,7-14,18H,3,6,15-17H2,1-2H3,(H,30,33)