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

Systemtic Name: cycloheptyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: cycloheptyl (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 cycloheptyl ester IUPAC Name: cycloheptyl (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 cycloheptyl 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)OC4CCCCCC4

Isomeric SMILES

CC1=C([C@H](CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC4CCCCCC4

InChI

InChI=1S/C21H24BrNO5/c1-12-20(21(25)28-13-6-4-2-3-5-7-13)15(9-19(24)23-12)14-8-17-18(10-16(14)22)27-11-26-17/h8,10,13,15H,2-7,9,11H2,1H3,(H,23,24)/t15-/m1/s1