dimethyl 3-benzamido-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2,4-dicarboxylate

Systemtic Name: dimethyl 3-benzamido-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2,4-dicarboxylate Openeye Name: dimethyl 3-benzamido-1-(tert-butoxycarbonylamino)-5-methyl-pyrrole-2,4-dicarboxylate CAS Name: 3-benzamido-5-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pyrrole-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-benzamido-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2,4-dicarboxylate Traditional Name: 3-benzamido-1-(tert-butoxycarbonylamino)-5-methyl-pyrrole-2,4-dicarboxylic acid dimethyl ester Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC(=O)OC(C)(C)C)C(=O)OC)NC(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1NC(=O)OC(C)(C)C)C(=O)OC)NC(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H25N3O7/c1-12-14(18(26)29-5)15(22-17(25)13-10-8-7-9-11-13)16(19(27)30-6)24(12)23-20(28)31-21(2,3)4/h7-11H,1-6H3,(H,22,25)(H,23,28)