(4-phenacyloxycarbonylphenyl)methyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate

Systemtic Name: (4-phenacyloxycarbonylphenyl)methyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate Openeye Name: (4-phenacyloxycarbonylphenyl)methyl 4-(tert-butoxycarbonylamino)-1-methyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pyrrolecarboxylic acid [4-[oxo(phenacyloxy)methyl]phenyl]methyl ester IUPAC Name: (4-phenacyloxycarbonylphenyl)methyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate Traditional Name: 4-(tert-butoxycarbonylamino)-1-methyl-pyrrole-2-carboxylic acid (4-phenacyloxycarbonylbenzyl) ester Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CN(C(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CN(C(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H28N2O7/c1-27(2,3)36-26(33)28-21-14-22(29(4)15-21)25(32)34-16-18-10-12-20(13-11-18)24(31)35-17-23(30)19-8-6-5-7-9-19/h5-15H,16-17H2,1-4H3,(H,28,33)