diethyl 1-[3-(benzimidazol-1-yl)-2-oxidanyl-propyl]-4-(4-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 1-[3-(benzimidazol-1-yl)-2-oxidanyl-propyl]-4-(4-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 1-[3-(benzimidazol-1-yl)-2-hydroxy-propyl]-4-(4-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[3-(1-benzimidazolyl)-2-hydroxypropyl]-4-(4-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-4-(4-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[3-(benzimidazol-1-yl)-2-hydroxy-propyl]-4-(4-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C29H32BrN3O5 MolecularWeight: 582.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)Br)C(=O)OCC)C)CC(CN3C=NC4=CC=CC=C43)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)Br)C(=O)OCC)C)CC(CN3C=NC4=CC=CC=C43)O)C

InChI

InChI=1S/C29H32BrN3O5/c1-5-37-28(35)25-18(3)33(16-22(34)15-32-17-31-23-9-7-8-10-24(23)32)19(4)26(29(36)38-6-2)27(25)20-11-13-21(30)14-12-20/h7-14,17,22,27,34H,5-6,15-16H2,1-4H3