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

Systemtic Name: methyl 4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: methyl 4-(3-ethoxy-4-isopentyloxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(3-ethoxy-4-isoamoxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid methyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)C)C(=O)OC)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)C)C(=O)OC)OCCC(C)C

InChI

InChI=1S/C26H31N3O4/c1-6-32-22-15-18(11-12-21(22)33-14-13-16(2)3)24-23(25(30)31-5)17(4)27-26-28-19-9-7-8-10-20(19)29(24)26/h7-12,15-16,24H,6,13-14H2,1-5H3,(H,27,28)