ethyl 4-[3-(3-methylbutoxy)phenyl]-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 4-[3-(3-methylbutoxy)phenyl]-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(3-isopentyloxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-[3-(3-methylbutoxy)phenyl]-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-methylbutoxy)phenyl]-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(3-isoamoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)OCCC(C)C)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)OCCC(C)C)C(=O)OCC

InChI

InChI=1S/C27H33N3O3/c1-5-10-22-24(26(31)32-6-2)25(19-11-9-12-20(17-19)33-16-15-18(3)4)30-23-14-8-7-13-21(23)28-27(30)29-22/h7-9,11-14,17-18,25H,5-6,10,15-16H2,1-4H3,(H,28,29)