tert-butyl 2-(2-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: tert-butyl 2-(2-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: tert-butyl 1-[2-(tert-butoxycarbonylamino)ethyl]-2-(2-fluorophenyl)-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-(2-fluorophenyl)-1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-5-phenyl-3-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-(tert-butoxycarbonylamino)ethyl]-2-(2-fluorophenyl)-5-phenyl-pyrrole-3-carboxylic acid tert-butyl ester Formula: C28H33FN2O4 MolecularWeight: 480.571023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCNC(=O)OC(C)(C)C)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCNC(=O)OC(C)(C)C)C3=CC=CC=C3F

InChI

InChI=1S/C28H33FN2O4/c1-27(2,3)34-25(32)21-18-23(19-12-8-7-9-13-19)31(17-16-30-26(33)35-28(4,5)6)24(21)20-14-10-11-15-22(20)29/h7-15,18H,16-17H2,1-6H3,(H,30,33)