ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(3-ethoxy-4-hydroxy-phenyl)-1-isopentyl-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-1-(3-methylbutyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-(3-methylbutyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-1-isoamyl-2-keto-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=O)N(C3=NC4=CC=CC=C4N23)CCC(C)C)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(C(=O)N(C3=NC4=CC=CC=C4N23)CCC(C)C)C(=O)OCC)O

InChI

InChI=1S/C26H31N3O5/c1-5-33-21-15-17(11-12-20(21)30)23-22(25(32)34-6-2)24(31)28(14-13-16(3)4)26-27-18-9-7-8-10-19(18)29(23)26/h7-12,15-16,22-23,30H,5-6,13-14H2,1-4H3