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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(N1)CNCC2=CC=CC=C2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCOC(=O)C1=C(C(=C(N1)CNCC2=CC=CC=C2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H30N2O4/c1-6-12-27-21(26)19-15(2)18(20(25)28-22(3,4)5)17(24-19)14-23-13-16-10-8-7-9-11-16/h7-11,23-24H,6,12-14H2,1-5H3