ethyl 3-[1-[(4-bromophenyl)methyl]-2-methyl-4-oxidanylidene-pyrimido[1,2-a]benzimidazol-3-yl]propanoate

Systemtic Name: ethyl 3-[1-[(4-bromophenyl)methyl]-2-methyl-4-oxidanylidene-pyrimido[1,2-a]benzimidazol-3-yl]propanoate Openeye Name: ethyl 3-[1-[(4-bromophenyl)methyl]-2-methyl-4-oxo-pyrimido[1,2-a]benzimidazol-3-yl]propanoate CAS Name: 3-[1-[(4-bromophenyl)methyl]-2-methyl-4-oxo-3-pyrimido[1,2-a]benzimidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[(4-bromophenyl)methyl]-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-3-yl]propanoate Traditional Name: 3-[1-(4-bromobenzyl)-4-keto-2-methyl-pyrimido[1,2-a]benzimidazol-3-yl]propionic acid ethyl ester Formula: C23H22BrN3O3 MolecularWeight: 468.34308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N(C2=NC3=CC=CC=C3N2C1=O)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)CCC1=C(N(C2=NC3=CC=CC=C3N2C1=O)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C23H22BrN3O3/c1-3-30-21(28)13-12-18-15(2)26(14-16-8-10-17(24)11-9-16)23-25-19-6-4-5-7-20(19)27(23)22(18)29/h4-11H,3,12-14H2,1-2H3