tert-butyl 4-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]benzoate

Systemtic Name: tert-butyl 4-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]benzoate Openeye Name: tert-butyl 4-[2-(tert-butoxycarbonylamino)-3-ethoxy-3-oxo-propyl]benzoate CAS Name: 4-[3-ethoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]benzoate Traditional Name: 4-[2-(tert-butoxycarbonylamino)-3-ethoxy-3-keto-propyl]benzoic acid tert-butyl ester Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO6/c1-8-26-18(24)16(22-19(25)28-21(5,6)7)13-14-9-11-15(12-10-14)17(23)27-20(2,3)4/h9-12,16H,8,13H2,1-7H3,(H,22,25)