O1-tert-butyl O2-methyl (2S,5R)-5-phenyl-2,5-dihydropyrrole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,5R)-5-phenyl-2,5-dihydropyrrole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,5R)-5-phenyl-2,5-dihydropyrrole-1,2-dicarboxylate CAS Name: (2S,5R)-5-phenyl-2,5-dihydropyrrole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,5R)-5-phenyl-2,5-dihydropyrrole-1,2-dicarboxylate Traditional Name: (2S,5R)-5-phenyl-3-pyrroline-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C=CC1C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](C=C[C@H]1C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO4/c1-17(2,3)22-16(20)18-13(12-8-6-5-7-9-12)10-11-14(18)15(19)21-4/h5-11,13-14H,1-4H3/t13-,14+/m1/s1