methyl 4-chloranyl-2-(methoxymethyl)-5-phenyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Systemtic Name: methyl 4-chloranyl-2-(methoxymethyl)-5-phenyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: methyl 4-chloro-2-(methoxymethyl)-5-phenyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-4-chloro-2-(methoxymethyl)-5-phenyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-2-(methoxymethyl)-5-phenyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Traditional Name: 4-chloro-2-(methoxymethyl)-5-phenyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylic acid methyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=C(N1NC(=O)NC2=CC=CC=C2)C3=CC=CC=C3)Cl)C(=O)OC

Isomeric SMILES

COCC1=C(C(=C(N1NC(=O)NC2=CC=CC=C2)C3=CC=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H20ClN3O4/c1-28-13-16-17(20(26)29-2)18(22)19(14-9-5-3-6-10-14)25(16)24-21(27)23-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H2,23,24,27)