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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=CC=C4OCC)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=CC=C4OCC)C

InChI

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