bis(3-ethynylphenyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: bis(3-ethynylphenyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]benzene-1,3-dicarboxylate Openeye Name: bis(3-ethynylphenyl) 5-(tert-butoxycarbonylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzene-1,3-dicarboxylic acid bis(3-ethynylphenyl) ester IUPAC Name: bis(3-ethynylphenyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(tert-butoxycarbonylamino)benzene-1,3-dicarboxylic acid bis(3-ethynylphenyl) ester Formula: C29H23NO6 MolecularWeight: 481.49602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)OC2=CC=CC(=C2)C#C)C(=O)OC3=CC=CC(=C3)C#C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)OC2=CC=CC(=C2)C#C)C(=O)OC3=CC=CC(=C3)C#C

InChI

InChI=1S/C29H23NO6/c1-6-19-10-8-12-24(14-19)34-26(31)21-16-22(18-23(17-21)30-28(33)36-29(3,4)5)27(32)35-25-13-9-11-20(7-2)15-25/h1-2,8-18H,3-5H3,(H,30,33)