diethyl 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]but-3-ynyl]propanedioate

Systemtic Name: diethyl 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]but-3-ynyl]propanedioate Openeye Name: diethyl 2-[1-[4-(tert-butoxycarbonylamino)phenyl]but-3-ynyl]propanedioate CAS Name: 2-[1-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]but-3-ynyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]but-3-ynyl]propanedioate Traditional Name: 2-[1-[4-(tert-butoxycarbonylamino)phenyl]but-3-ynyl]malonic acid diethyl ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC#C)C1=CC=C(C=C1)NC(=O)OC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CC#C)C1=CC=C(C=C1)NC(=O)OC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C22H29NO6/c1-7-10-17(18(19(24)27-8-2)20(25)28-9-3)15-11-13-16(14-12-15)23-21(26)29-22(4,5)6/h1,11-14,17-18H,8-10H2,2-6H3,(H,23,26)