methyl 2-[2-(2-azanylidene-3-propyl-benzimidazol-1-yl)ethanoyl]benzoate hydrobromide

Systemtic Name: methyl 2-[2-(2-azanylidene-3-propyl-benzimidazol-1-yl)ethanoyl]benzoate hydrobromide Openeye Name: methyl 2-[2-(2-imino-3-propyl-benzimidazol-1-yl)acetyl]benzoate hydrobromide CAS Name: 2-[2-(2-imino-3-propyl-1-benzimidazolyl)-1-oxoethyl]benzoic acid methyl ester hydrobromide IUPAC Name: methyl 2-[2-(2-imino-3-propylbenzimidazol-1-yl)acetyl]benzoate hydrobromide Traditional Name: 2-[2-(2-imino-3-propyl-benzimidazol-1-yl)acetyl]benzoic acid methyl ester hydrobromide Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CC=C3C(=O)OC.Br

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CC=C3C(=O)OC.Br

InChI

InChI=1S/C20H21N3O3.BrH/c1-3-12-22-16-10-6-7-11-17(16)23(20(22)21)13-18(24)14-8-4-5-9-15(14)19(25)26-2;/h4-11,21H,3,12-13H2,1-2H3;1H