tert-butyl 4-[(2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butyl]benzoate

Systemtic Name: tert-butyl 4-[(2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butyl]benzoate Openeye Name: tert-butyl 4-[(2S)-2-(tert-butoxycarbonylamino)-4-methoxy-4-oxo-butyl]benzoate CAS Name: 4-[(2S)-4-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]benzoate Traditional Name: 4-[(2S)-2-(tert-butoxycarbonylamino)-4-keto-4-methoxy-butyl]benzoic acid tert-butyl ester Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO6/c1-20(2,3)27-18(24)15-10-8-14(9-11-15)12-16(13-17(23)26-7)22-19(25)28-21(4,5)6/h8-11,16H,12-13H2,1-7H3,(H,22,25)/t16-/m0/s1