O4-tert-butyl O2-(phenylmethyl) 3-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-(phenylmethyl) 3-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-benzyl O4-tert-butyl 3-(3-methoxy-3-oxo-propyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-(3-keto-3-methoxy-propyl)-5-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-benzyl ester O4-tert-butyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO6/c1-14-18(20(25)29-22(2,3)4)16(11-12-17(24)27-5)19(23-14)21(26)28-13-15-9-7-6-8-10-15/h6-10,23H,11-13H2,1-5H3