prop-2-enyl 4-(4-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: prop-2-enyl 4-(4-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: allyl 4-(4-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(4-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(4-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(4-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid allyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3/c1-4-6-16-30-19-13-11-18(12-14-19)23-22(24(29)31-15-5-2)17(3)26-25-27-20-9-7-8-10-21(20)28(23)25/h5,7-14,23H,2,4,6,15-16H2,1,3H3,(H,26,27)