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

Systemtic Name: ethyl 4-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H27N3O5/c1-3-5-10-24-19(26)16-7-6-14(13-17(16)20(24)27)18(25)22-15-8-11-23(12-9-15)21(28)29-4-2/h6-7,13,15H,3-5,8-12H2,1-2H3,(H,22,25)