ethyl 2-[2-[3-[(3-bromophenyl)carbonylamino]propyl]benzimidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[3-[(3-bromophenyl)carbonylamino]propyl]benzimidazol-1-yl]ethanoate Openeye Name: ethyl 2-[2-[3-[(3-bromobenzoyl)amino]propyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[3-[[(3-bromophenyl)-oxomethyl]amino]propyl]-1-benzimidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-[(3-bromobenzoyl)amino]propyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[3-[(3-bromobenzoyl)amino]propyl]benzimidazol-1-yl]acetic acid ethyl ester Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2N=C1CCCNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2N=C1CCCNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c1-2-28-20(26)14-25-18-10-4-3-9-17(18)24-19(25)11-6-12-23-21(27)15-7-5-8-16(22)13-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,23,27)