3-[2-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-1-yl]propanoate Openeye Name: 3-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-1-yl]propanoate CAS Name: 3-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-1-yl]propanoate Traditional Name: 3-[2-keto-3-(3,4,5-trimethoxybenzyl)benzimidazol-1-yl]propionate Formula: C20H21N2O6- MolecularWeight: 385.39054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2C3=CC=CC=C3N(C2=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2C3=CC=CC=C3N(C2=O)CCC(=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-26-16-10-13(11-17(27-2)19(16)28-3)12-22-15-7-5-4-6-14(15)21(20(22)25)9-8-18(23)24/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,24)/p-1