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

Systemtic Name: ethyl 2-methyl-4-[3-(3-methylbutoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(3-isopentyloxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 2-methyl-4-[3-(3-methylbutoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-(3-methylbutoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(3-isoamoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC(=CC=C4)OCCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC(=CC=C4)OCCC(C)C)C

InChI

InChI=1S/C25H29N3O3/c1-5-30-24(29)22-17(4)26-25-27-20-11-6-7-12-21(20)28(25)23(22)18-9-8-10-19(15-18)31-14-13-16(2)3/h6-12,15-16,23H,5,13-14H2,1-4H3,(H,26,27)