methyl 4-[3-[2-azanylidene-3-[(3-bromophenyl)methyl]benzimidazol-1-yl]propoxy]benzoate

Systemtic Name: methyl 4-[3-[2-azanylidene-3-[(3-bromophenyl)methyl]benzimidazol-1-yl]propoxy]benzoate Openeye Name: methyl 4-[3-[3-[(3-bromophenyl)methyl]-2-imino-benzimidazol-1-yl]propoxy]benzoate CAS Name: 4-[3-[3-[(3-bromophenyl)methyl]-2-imino-1-benzimidazolyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[3-[(3-bromophenyl)methyl]-2-iminobenzimidazol-1-yl]propoxy]benzoate Traditional Name: 4-[3-[3-(3-bromobenzyl)-2-imino-benzimidazol-1-yl]propoxy]benzoic acid methyl ester Formula: C25H24BrN3O3 MolecularWeight: 494.38036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N(C2=N)CC4=CC(=CC=C4)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N(C2=N)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H24BrN3O3/c1-31-24(30)19-10-12-21(13-11-19)32-15-5-14-28-22-8-2-3-9-23(22)29(25(28)27)17-18-6-4-7-20(26)16-18/h2-4,6-13,16,27H,5,14-15,17H2,1H3