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

Systemtic Name: propan-2-yl 4-(4-butoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-5-6-15-30-19-13-11-18(12-14-19)23-22(24(29)31-16(2)3)17(4)26-25-27-20-9-7-8-10-21(20)28(23)25/h7-14,16,23H,5-6,15H2,1-4H3,(H,26,27)