ethyl 4-(4-butoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(4-butoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(4-butoxyphenyl)-2-propyl-1,4-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:

CCCCOC1=CC=C(C=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)CCC)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)CCC)C(=O)OCC

InChI

InChI=1S/C26H31N3O3/c1-4-7-17-32-19-15-13-18(14-16-19)24-23(25(30)31-6-3)21(10-5-2)28-26-27-20-11-8-9-12-22(20)29(24)26/h8-9,11-16,24H,4-7,10,17H2,1-3H3,(H,27,28)