O2-tert-butyl O4-methyl 5-[[(2-aminocarbonylcyclohexyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-methyl 5-[[(2-aminocarbonylcyclohexyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[[(2-carbamoylcyclohexyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(2-carbamoylcyclohexyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 5-[[(2-carbamoylcyclohexyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(2-carbamoylcyclohexyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2CCCCC2C(=O)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2CCCCC2C(=O)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O5/c1-6-12-16(19(26)28-5)15(24-17(12)20(27)29-21(2,3)4)11-23-14-10-8-7-9-13(14)18(22)25/h13-14,23-24H,6-11H2,1-5H3,(H2,22,25)