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

Systemtic Name: ethyl 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(4-isopentyloxy-3-methoxy-phenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(4-isoamoxy-3-methoxy-phenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O4/c1-6-10-21-25(27(32)34-7-2)26(31-22-12-9-8-11-20(22)29-28(31)30-21)19-13-14-23(24(17-19)33-5)35-16-15-18(3)4/h8-9,11-14,17-18,26H,6-7,10,15-16H2,1-5H3,(H,29,30)