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

Systemtic Name: methyl 4-cyano-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-4-phenyl-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(N1NC(=O)OC(C)(C)C)(C)O)(C#N)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(C(N1NC(=O)OC(C)(C)C)(C)O)(C#N)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H25N3O5/c1-13-15(16(24)27-6)20(12-21,14-10-8-7-9-11-14)19(5,26)23(13)22-17(25)28-18(2,3)4/h7-11,26H,1-6H3,(H,22,25)