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

Systemtic Name: methyl 2-[4-[2-(2-azanylidene-3-heptyl-benzimidazol-1-yl)ethanoyl]phenoxy]ethanoate hydrobromide Openeye Name: methyl 2-[4-[2-(3-heptyl-2-imino-benzimidazol-1-yl)acetyl]phenoxy]acetate hydrobromide CAS Name: 2-[4-[2-(3-heptyl-2-imino-1-benzimidazolyl)-1-oxoethyl]phenoxy]acetic acid methyl ester hydrobromide IUPAC Name: methyl 2-[4-[2-(3-heptyl-2-iminobenzimidazol-1-yl)acetyl]phenoxy]acetate hydrobromide Traditional Name: 2-[4-[2-(3-heptyl-2-imino-benzimidazol-1-yl)acetyl]phenoxy]acetic acid methyl ester hydrobromide Formula: C25H32BrN3O4 MolecularWeight: 518.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC.Br

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC.Br

InChI

InChI=1S/C25H31N3O4.BrH/c1-3-4-5-6-9-16-27-21-10-7-8-11-22(21)28(25(27)26)17-23(29)19-12-14-20(15-13-19)32-18-24(30)31-2;/h7-8,10-15,26H,3-6,9,16-18H2,1-2H3;1H