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

Systemtic Name: (phenylmethyl) 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate Openeye Name: benzyl 4-(tert-butoxycarbonylamino)-1-methyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate Traditional Name: 4-(tert-butoxycarbonylamino)-1-methyl-pyrrole-2-carboxylic acid benzyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-18(2,3)24-17(22)19-14-10-15(20(4)11-14)16(21)23-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,19,22)