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

Systemtic Name: ethyl 4-(4-phenylmethoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(4-benzyloxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(4-phenylmethoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-phenylmethoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C29H29N3O3/c1-3-10-24-26(28(33)34-4-2)27(32-25-14-9-8-13-23(25)30-29(32)31-24)21-15-17-22(18-16-21)35-19-20-11-6-5-7-12-20/h5-9,11-18,27H,3-4,10,19H2,1-2H3,(H,30,31)