(4-methylphenyl)methyl (4R)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: (4-methylphenyl)methyl (4R)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: p-tolylmethyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid (4-methylbenzyl) ester Formula: C22H20BrNO5 MolecularWeight: 458.3019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)CC2C3=CC4=C(C=C3Br)OCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)C[C@H]2C3=CC4=C(C=C3Br)OCO4)C

InChI

InChI=1S/C22H20BrNO5/c1-12-3-5-14(6-4-12)10-27-22(26)21-13(2)24-20(25)8-16(21)15-7-18-19(9-17(15)23)29-11-28-18/h3-7,9,16H,8,10-11H2,1-2H3,(H,24,25)/t16-/m0/s1