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

Systemtic Name: octyl 4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: octyl 4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid octyl ester IUPAC Name: octyl 4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid octyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3/c1-4-5-6-7-8-11-17-33-26(31)24-19(2)28-27-29-22-15-9-10-16-23(22)30(27)25(24)20-13-12-14-21(18-20)32-3/h9-10,12-16,18,25H,4-8,11,17H2,1-3H3,(H,28,29)