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

Systemtic Name: methyl 2-methyl-4-[3-(3-methylbutoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)OCCC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)OCCC(C)C)C(=O)OC

InChI

InChI=1S/C24H27N3O3/c1-15(2)12-13-30-18-9-7-8-17(14-18)22-21(23(28)29-4)16(3)25-24-26-19-10-5-6-11-20(19)27(22)24/h5-11,14-15,22H,12-13H2,1-4H3,(H,25,26)