O2-tert-butyl O3-ethyl O5-(phenylmethyl) 4-methyl-1H-pyrrole-2,3,5-tricarboxylate

Systemtic Name: O2-tert-butyl O3-ethyl O5-(phenylmethyl) 4-methyl-1H-pyrrole-2,3,5-tricarboxylate Openeye Name: O5-benzyl O2-tert-butyl O3-ethyl 4-methyl-1H-pyrrole-2,3,5-tricarboxylate CAS Name: 4-methyl-1H-pyrrole-2,3,5-tricarboxylic acid O2-tert-butyl ester O3-ethyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 2-O-tert-butyl 3-O-ethyl 4-methyl-1H-pyrrole-2,3,5-tricarboxylate Traditional Name: 4-methyl-1H-pyrrole-2,3,5-tricarboxylic acid O5-benzyl ester O2-tert-butyl ester O3-ethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H25NO6/c1-6-26-18(23)15-13(2)16(22-17(15)20(25)28-21(3,4)5)19(24)27-12-14-10-8-7-9-11-14/h7-11,22H,6,12H2,1-5H3