methyl 1-[3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoylamino]cyclohexanecarboxylate CAS Name: 1-[[3-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-(5-bromo-1,3-diketo-isoindolin-2-yl)propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C19H21BrN2O5 MolecularWeight: 437.28444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O5/c1-27-18(26)19(8-3-2-4-9-19)21-15(23)7-10-22-16(24)13-6-5-12(20)11-14(13)17(22)25/h5-6,11H,2-4,7-10H2,1H3,(H,21,23)