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

Systemtic Name: ethyl 4-[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(2-isopentyl-1,3-dioxo-isoindoline-5-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[2-(3-methylbutyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(2-isoamyl-1,3-diketo-isoindoline-5-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C

InChI

InChI=1S/C21H27N3O5/c1-4-29-21(28)23-11-9-22(10-12-23)18(25)15-5-6-16-17(13-15)20(27)24(19(16)26)8-7-14(2)3/h5-6,13-14H,4,7-12H2,1-3H3