methyl 2-[4-[2-(2-azanylidene-3-butyl-benzimidazol-1-yl)ethanoyl]phenoxy]ethanoate hydrobromide

Systemtic Name: methyl 2-[4-[2-(2-azanylidene-3-butyl-benzimidazol-1-yl)ethanoyl]phenoxy]ethanoate hydrobromide Openeye Name: methyl 2-[4-[2-(3-butyl-2-imino-benzimidazol-1-yl)acetyl]phenoxy]acetate hydrobromide CAS Name: 2-[4-[2-(3-butyl-2-imino-1-benzimidazolyl)-1-oxoethyl]phenoxy]acetic acid methyl ester hydrobromide IUPAC Name: methyl 2-[4-[2-(3-butyl-2-iminobenzimidazol-1-yl)acetyl]phenoxy]acetate hydrobromide Traditional Name: 2-[4-[2-(3-butyl-2-imino-benzimidazol-1-yl)acetyl]phenoxy]acetic acid methyl ester hydrobromide Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC.Br

Isomeric SMILES

CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC.Br

InChI

InChI=1S/C22H25N3O4.BrH/c1-3-4-13-24-18-7-5-6-8-19(18)25(22(24)23)14-20(26)16-9-11-17(12-10-16)29-15-21(27)28-2;/h5-12,23H,3-4,13-15H2,1-2H3;1H