ethyl 1-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-butyl-1,3-dioxoisoindole-5-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(2-butyl-1,3-diketo-isoindoline-5-carbonyl)nipecotic acid ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C21H26N2O5/c1-3-5-11-23-19(25)16-9-8-14(12-17(16)20(23)26)18(24)22-10-6-7-15(13-22)21(27)28-4-2/h8-9,12,15H,3-7,10-11,13H2,1-2H3