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

Systemtic Name: cyclohexylmethyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: cyclohexylmethyl (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclohexylmethyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC4CCCCC4

Isomeric SMILES

CC1=C([C@H](CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC4CCCCC4

InChI

InChI=1S/C21H24BrNO5/c1-12-20(21(25)26-10-13-5-3-2-4-6-13)15(8-19(24)23-12)14-7-17-18(9-16(14)22)28-11-27-17/h7,9,13,15H,2-6,8,10-11H2,1H3,(H,23,24)/t15-/m1/s1