O2-ethyl O4-[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: 2-O-ethyl 4-O-[(2S)-1-oxo-1-(phenethylamino)propan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)O[C@@H](C)C(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O5/c1-5-27-21(26)18-13(2)17(14(3)23-18)20(25)28-15(4)19(24)22-12-11-16-9-7-6-8-10-16/h6-10,15,23H,5,11-12H2,1-4H3,(H,22,24)/t15-/m0/s1