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

Systemtic Name: ethyl 4-(4-ethylphenyl)-1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(4-ethylphenyl)-1-isopentyl-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(4-ethylphenyl)-1-(3-methylbutyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylphenyl)-1-(3-methylbutyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-1-isoamyl-2-keto-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=O)N(C3=NC4=CC=CC=C4N23)CCC(C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(C(=O)N(C3=NC4=CC=CC=C4N23)CCC(C)C)C(=O)OCC

InChI

InChI=1S/C26H31N3O3/c1-5-18-11-13-19(14-12-18)23-22(25(31)32-6-2)24(30)28(16-15-17(3)4)26-27-20-9-7-8-10-21(20)29(23)26/h7-14,17,22-23H,5-6,15-16H2,1-4H3