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

Systemtic Name: O4-ethyl O2-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: 4-O-ethyl 2-O-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C21H25N3O6/c1-5-22-21(28)24-18(25)17(14-10-8-7-9-11-14)30-20(27)16-12(3)15(13(4)23-16)19(26)29-6-2/h7-11,17,23H,5-6H2,1-4H3,(H2,22,24,25,28)/t17-/m0/s1