methyl 2-phenyl-4-(4-propoxyphenyl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: methyl 2-phenyl-4-(4-propoxyphenyl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: methyl 2-phenyl-4-(4-propoxyphenyl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 2-phenyl-4-(4-propoxyphenyl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-phenyl-4-(4-propoxyphenyl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 2-phenyl-4-(4-propoxyphenyl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid methyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(N=C3N2C4=CC=CC=C4N3)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C(=C(N=C3N2C4=CC=CC=C4N3)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C27H25N3O3/c1-3-17-33-20-15-13-19(14-16-20)25-23(26(31)32-2)24(18-9-5-4-6-10-18)29-27-28-21-11-7-8-12-22(21)30(25)27/h4-16,25H,3,17H2,1-2H3,(H,28,29)