2-ethylbutyl (4R)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: 2-ethylbutyl (4R)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: 2-ethylbutyl (4R)-4-(2-bromo-4,5-dimethoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4R)-4-(2-bromo-4,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl (4R)-4-(2-bromo-4,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4R)-4-(2-bromo-4,5-dimethoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid 2-ethylbutyl ester Formula: C21H28BrNO5 MolecularWeight: 454.35472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)C1=C(NC(=O)CC1C2=CC(=C(C=C2Br)OC)OC)C

Isomeric SMILES

CCC(CC)COC(=O)C1=C(NC(=O)C[C@H]1C2=CC(=C(C=C2Br)OC)OC)C

InChI

InChI=1S/C21H28BrNO5/c1-6-13(7-2)11-28-21(25)20-12(3)23-19(24)9-15(20)14-8-17(26-4)18(27-5)10-16(14)22/h8,10,13,15H,6-7,9,11H2,1-5H3,(H,23,24)/t15-/m0/s1