methyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[2-(tert-butoxycarbonylamino)phenyl]ethynyl]benzoate CAS Name: 4-[2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]benzoate Traditional Name: 4-[2-[2-(tert-butoxycarbonylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1C#CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1C#CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H21NO4/c1-21(2,3)26-20(24)22-18-8-6-5-7-16(18)12-9-15-10-13-17(14-11-15)19(23)25-4/h5-8,10-11,13-14H,1-4H3,(H,22,24)