ethyl 4-cyano-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-4-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-cyano-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-4-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(tert-butoxycarbonylamino)-4-cyano-5-hydroxy-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylate CAS Name: 4-cyano-5-hydroxy-2,5-dimethyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-hydroxy-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylpyrrole-3-carboxylate Traditional Name: 1-(tert-butoxycarbonylamino)-4-cyano-5-hydroxy-2,5-dimethyl-4-phenyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-7-28-17(25)16-14(2)24(23-18(26)29-19(3,4)5)20(6,27)21(16,13-22)15-11-9-8-10-12-15/h8-12,27H,7H2,1-6H3,(H,23,26)