ethyl (4S)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl (4S)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: (4S)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)C)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(NC3=NC4=CC=CC=C4N23)C)C(=O)OCC)O

InChI

InChI=1S/C22H23N3O4/c1-4-28-18-12-14(10-11-17(18)26)20-19(21(27)29-5-2)13(3)23-22-24-15-8-6-7-9-16(15)25(20)22/h6-12,20,26H,4-5H2,1-3H3,(H,23,24)/t20-/m0/s1