ethyl (3S,4R)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-oxidanylidene-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl (3S,4R)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-oxidanylidene-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl (3S,4R)-4-(3-ethoxy-4-hydroxy-phenyl)-2-oxo-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: (3S,4R)-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: (3S,4R)-4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=O)N=C3N2C4=CC=CC=C4N3)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2[C@@H](C(=O)N=C3N2C4=CC=CC=C4N3)C(=O)OCC)O

InChI

InChI=1S/C21H21N3O5/c1-3-28-16-11-12(9-10-15(16)25)18-17(20(27)29-4-2)19(26)23-21-22-13-7-5-6-8-14(13)24(18)21/h5-11,17-18,25H,3-4H2,1-2H3,(H,22,23,26)/t17-,18-/m0/s1