octyl 4-(2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: octyl 4-(2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: octyl 4-(2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid octyl ester IUPAC Name: octyl 4-(2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(2,5-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid octyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=C(C=CC(=C4)OC)OC)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=C(C=CC(=C4)OC)OC)C

InChI

InChI=1S/C28H35N3O4/c1-5-6-7-8-9-12-17-35-27(32)25-19(2)29-28-30-22-13-10-11-14-23(22)31(28)26(25)21-18-20(33-3)15-16-24(21)34-4/h10-11,13-16,18,26H,5-9,12,17H2,1-4H3,(H,29,30)