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

Systemtic Name: methyl 4-cyano-2,5-dimethyl-5-oxidanyl-4-phenyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(N1NC(=O)NC2=CC=CC=C2)(C)O)(C#N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(N1NC(=O)NC2=CC=CC=C2)(C)O)(C#N)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N4O4/c1-15-18(19(27)30-3)22(14-23,16-10-6-4-7-11-16)21(2,29)26(15)25-20(28)24-17-12-8-5-9-13-17/h4-13,29H,1-3H3,(H2,24,25,28)