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

Systemtic Name: ethyl 4-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(5-bromo-1,3-dioxo-isoindolin-2-yl)butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-(5-bromo-1,3-diketo-isoindolin-2-yl)butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C20H24BrN3O5 MolecularWeight: 466.32566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3O5/c1-2-29-20(28)23-10-7-14(8-11-23)22-17(25)4-3-9-24-18(26)15-6-5-13(21)12-16(15)19(24)27/h5-6,12,14H,2-4,7-11H2,1H3,(H,22,25)