ethyl 5-azanyl-4-cyano-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl-phenacyl-amino]pyrrole-3-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl-phenacyl-amino]pyrrole-3-carboxylate Openeye Name: ethyl 5-amino-1-[tert-butoxycarbonyl(phenacyl)amino]-4-cyano-2-methyl-pyrrole-3-carboxylate CAS Name: 5-amino-4-cyano-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenacylamino]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl-phenacylamino]pyrrole-3-carboxylate Traditional Name: 5-amino-1-[tert-butoxycarbonyl(phenacyl)amino]-4-cyano-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C#N)N)N(CC(=O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C#N)N)N(CC(=O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H26N4O5/c1-6-30-20(28)18-14(2)26(19(24)16(18)12-23)25(21(29)31-22(3,4)5)13-17(27)15-10-8-7-9-11-15/h7-11H,6,13,24H2,1-5H3