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

Systemtic Name: dimethyl 1-[3-(benzimidazol-1-yl)-2-oxidanyl-propyl]-4-(3-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[3-(benzimidazol-1-yl)-2-hydroxy-propyl]-4-(3-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[3-(1-benzimidazolyl)-2-hydroxypropyl]-4-(3-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-4-(3-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[3-(benzimidazol-1-yl)-2-hydroxy-propyl]-4-(3-bromophenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C27H28BrN3O5 MolecularWeight: 554.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1CC(CN2C=NC3=CC=CC=C32)O)C)C(=O)OC)C4=CC(=CC=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1CC(CN2C=NC3=CC=CC=C32)O)C)C(=O)OC)C4=CC(=CC=C4)Br)C(=O)OC

InChI

InChI=1S/C27H28BrN3O5/c1-16-23(26(33)35-3)25(18-8-7-9-19(28)12-18)24(27(34)36-4)17(2)31(16)14-20(32)13-30-15-29-21-10-5-6-11-22(21)30/h5-12,15,20,25,32H,13-14H2,1-4H3