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

Systemtic Name: methyl (4S)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-4-28-17-11-13(9-10-16(17)25)19-18(20(26)27-3)12(2)22-21-23-14-7-5-6-8-15(14)24(19)21/h5-11,19,25H,4H2,1-3H3,(H,22,23)/t19-/m0/s1