ethyl 4-[3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[3-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-(5-bromo-1,3-diketo-isoindolin-2-yl)propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C19H22BrN3O5 MolecularWeight: 452.29908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C19H22BrN3O5/c1-2-28-19(27)22-8-5-13(6-9-22)21-16(24)7-10-23-17(25)14-4-3-12(20)11-15(14)18(23)26/h3-4,11,13H,2,5-10H2,1H3,(H,21,24)