O4-[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester O2-ethyl ester IUPAC Name: 4-O-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester O2-ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)C

InChI

InChI=1S/C21H24N2O5/c1-4-27-21(26)17-12(2)16(13(3)22-17)20(25)28-18(14-8-6-5-7-9-14)19(24)23-15-10-11-15/h5-9,15,18,22H,4,10-11H2,1-3H3,(H,23,24)/t18-/m1/s1