ethyl 4-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 4-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(3-ethoxyphenyl)-1-isopentyl-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 1-isoamyl-2-keto-4-m-phenetyl-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C(C(=O)N(C3=NC4=CC=CC=C4N23)CCC(C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2C(C(=O)N(C3=NC4=CC=CC=C4N23)CCC(C)C)C(=O)OCC

InChI

InChI=1S/C26H31N3O4/c1-5-32-19-11-9-10-18(16-19)23-22(25(31)33-6-2)24(30)28(15-14-17(3)4)26-27-20-12-7-8-13-21(20)29(23)26/h7-13,16-17,22-23H,5-6,14-15H2,1-4H3