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

Systemtic Name: heptyl 2-methyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: heptyl 2-methyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 2-methyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 2-methyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid heptyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O5/c1-6-7-8-9-12-17-36-27(32)23-18(2)29-28-30-20-13-10-11-14-21(20)31(28)24(23)19-15-16-22(33-3)26(35-5)25(19)34-4/h10-11,13-16,24H,6-9,12,17H2,1-5H3,(H,29,30)