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

Systemtic Name: heptyl 4-(2,3-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: heptyl 4-(2,3-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(2,3-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid heptyl ester IUPAC Name: heptyl 4-(2,3-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(2,3-dimethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid heptyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4/c1-5-6-7-8-11-17-34-26(31)23-18(2)28-27-29-20-14-9-10-15-21(20)30(27)24(23)19-13-12-16-22(32-3)25(19)33-4/h9-10,12-16,24H,5-8,11,17H2,1-4H3,(H,28,29)