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

Systemtic Name: O2-tert-butyl O4-methyl 5-[(1,2-diphenylethylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[(1,2-diphenylethylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(1,2-diphenylethylamino)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-[(1,2-diphenylethylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(1,2-diphenylethylamino)methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H34N2O4/c1-6-21-24(26(31)33-5)23(30-25(21)27(32)34-28(2,3)4)18-29-22(20-15-11-8-12-16-20)17-19-13-9-7-10-14-19/h7-16,22,29-30H,6,17-18H2,1-5H3