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

Systemtic Name: ethyl 4-[5-(3-methylbutylcarbamoyl)-1,3-bis(oxidanylidene)isoindol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-(isopentylcarbamoyl)-1,3-dioxo-isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[5-[(3-methylbutylamino)-oxomethyl]-1,3-dioxo-2-isoindolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(3-methylbutylcarbamoyl)-1,3-dioxoisoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(isoamylcarbamoyl)-1,3-diketo-isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCC(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCC(C)C

InChI

InChI=1S/C22H29N3O5/c1-4-30-22(29)24-11-8-16(9-12-24)25-20(27)17-6-5-15(13-18(17)21(25)28)19(26)23-10-7-14(2)3/h5-6,13-14,16H,4,7-12H2,1-3H3,(H,23,26)