2-[2-[2-[2-(diethylazaniumyl)ethoxy]-3-methoxy-phenyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[2-[2-(diethylazaniumyl)ethoxy]-3-methoxy-phenyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[2-[2-(diethylammonio)ethoxy]-3-methoxy-phenyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[2-[2-(diethylammonio)ethoxy]-3-methoxyphenyl]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[2-[2-(diethylazaniumyl)ethoxy]-3-methoxyphenyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[2-[2-(diethylammonio)ethoxy]-3-methoxy-phenyl]benzimidazol-1-yl]acetate Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=CC=C1OC)C2=NC3=CC=CC=C3N2CC(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=CC=C1OC)C2=NC3=CC=CC=C3N2CC(=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-4-24(5-2)13-14-29-21-16(9-8-12-19(21)28-3)22-23-17-10-6-7-11-18(17)25(22)15-20(26)27/h6-12H,4-5,13-15H2,1-3H3,(H,26,27)