tert-butyl 4-(3-cyclohexa-1,5-dien-1-yloxypropylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-(3-cyclohexa-1,5-dien-1-yloxypropylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-4-(3-cyclohexa-1,5-dien-1-yloxypropylamino)-4-oxo-butanoate CAS Name: 4-[3-(1-cyclohexa-1,5-dienyloxy)propylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-cyclohexa-1,5-dien-1-yloxypropylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(3-cyclohexa-1,5-dien-1-yloxypropylamino)-4-keto-butyric acid tert-butyl ester Formula: C22H36N2O6 MolecularWeight: 424.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(=O)NCCCOC1=CCCC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CC(=O)NCCCOC1=CCCC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H36N2O6/c1-21(2,3)29-19(26)17(24-20(27)30-22(4,5)6)15-18(25)23-13-10-14-28-16-11-8-7-9-12-16/h8,11-12,17H,7,9-10,13-15H2,1-6H3,(H,23,25)(H,24,27)