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

Systemtic Name: methyl 2-[2-(2-azanylidene-3-heptyl-benzimidazol-1-yl)ethanoyl]benzoate hydrobromide Openeye Name: methyl 2-[2-(3-heptyl-2-imino-benzimidazol-1-yl)acetyl]benzoate hydrobromide CAS Name: 2-[2-(3-heptyl-2-imino-1-benzimidazolyl)-1-oxoethyl]benzoic acid methyl ester hydrobromide IUPAC Name: methyl 2-[2-(3-heptyl-2-iminobenzimidazol-1-yl)acetyl]benzoate hydrobromide Traditional Name: 2-[2-(3-heptyl-2-imino-benzimidazol-1-yl)acetyl]benzoic acid methyl ester hydrobromide Formula: C24H30BrN3O3 MolecularWeight: 488.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CC=C3C(=O)OC.Br

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CC=C3C(=O)OC.Br

InChI

InChI=1S/C24H29N3O3.BrH/c1-3-4-5-6-11-16-26-20-14-9-10-15-21(20)27(24(26)25)17-22(28)18-12-7-8-13-19(18)23(29)30-2;/h7-10,12-15,25H,3-6,11,16-17H2,1-2H3;1H