tert-butyl 5-[[4-[(3-methoxy-3-oxidanylidene-propyl)amino]-4-oxidanylidene-butanoyl]amino]-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 5-[[4-[(3-methoxy-3-oxidanylidene-propyl)amino]-4-oxidanylidene-butanoyl]amino]-1,3-dihydroisoindole-2-carboxylate Openeye Name: tert-butyl 5-[[4-[(3-methoxy-3-oxo-propyl)amino]-4-oxo-butanoyl]amino]isoindoline-2-carboxylate CAS Name: 5-[[4-[(3-methoxy-3-oxopropyl)amino]-1,4-dioxobutyl]amino]-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[4-[(3-methoxy-3-oxopropyl)amino]-4-oxobutanoyl]amino]-1,3-dihydroisoindole-2-carboxylate Traditional Name: 5-[[4-keto-4-[(3-keto-3-methoxy-propyl)amino]butanoyl]amino]isoindoline-2-carboxylic acid tert-butyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)NC(=O)CCC(=O)NCCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)NC(=O)CCC(=O)NCCC(=O)OC

InChI

InChI=1S/C21H29N3O6/c1-21(2,3)30-20(28)24-12-14-5-6-16(11-15(14)13-24)23-18(26)8-7-17(25)22-10-9-19(27)29-4/h5-6,11H,7-10,12-13H2,1-4H3,(H,22,25)(H,23,26)