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

Systemtic Name: O2-tert-butyl O4-ethyl 5-[[(3-bromophenyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[(3-bromoanilino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(3-bromoanilino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[(3-bromoanilino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(3-bromoanilino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H27BrN2O4 MolecularWeight: 451.35408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC(=CC=C2)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC(=CC=C2)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27BrN2O4/c1-6-15-17(19(25)27-7-2)16(12-23-14-10-8-9-13(22)11-14)24-18(15)20(26)28-21(3,4)5/h8-11,23-24H,6-7,12H2,1-5H3