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

Systemtic Name: O2-tert-butyl O4-ethyl 3-ethyl-5-[[(2-methylphenyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-ethyl-5-[(2-methylanilino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[(2-methylanilino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-ethyl-5-[(2-methylanilino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-(o-toluidinomethyl)-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC=CC=C2C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC=CC=C2C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N2O4/c1-7-15-18(20(25)27-8-2)17(13-23-16-12-10-9-11-14(16)3)24-19(15)21(26)28-22(4,5)6/h9-12,23-24H,7-8,13H2,1-6H3