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

Systemtic Name: ethyl 4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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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)OCC)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4/c1-6-32-23-16-19(12-13-22(23)34-15-14-17(3)4)25-24(26(31)33-7-2)18(5)28-27-29-20-10-8-9-11-21(20)30(25)27/h8-13,16-17,25H,6-7,14-15H2,1-5H3,(H,28,29)