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

Systemtic Name: methyl 4-(3-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: methyl 4-(3-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(3-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(3-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-4-5-13-29-17-10-8-9-16(14-17)21-20(22(27)28-3)15(2)24-23-25-18-11-6-7-12-19(18)26(21)23/h6-12,14,21H,4-5,13H2,1-3H3,(H,24,25)