ethyl 4-cyano-2,5-dimethyl-5-oxidanyl-4-phenyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-cyano-2,5-dimethyl-5-oxidanyl-4-phenyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: ethyl 4-cyano-5-hydroxy-2,5-dimethyl-4-phenyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-4-cyano-5-hydroxy-2,5-dimethyl-4-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-hydroxy-2,5-dimethyl-4-phenyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Traditional Name: 4-cyano-5-hydroxy-2,5-dimethyl-4-phenyl-1-(phenylcarbamoylamino)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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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)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(C1(C#N)C2=CC=CC=C2)(C)O)NC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C23H24N4O4/c1-4-31-20(28)19-16(2)27(26-21(29)25-18-13-9-6-10-14-18)22(3,30)23(19,15-24)17-11-7-5-8-12-17/h5-14,30H,4H2,1-3H3,(H2,25,26,29)