ethyl 4-[(4-fluoranyl-3-methyl-phenyl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(4-fluoranyl-3-methyl-phenyl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(4-fluoro-3-methyl-phenyl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[(4-fluoro-3-methylphenyl)methylamino]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(4-fluoro-3-methyl-benzyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H21FN2O3 MolecularWeight: 332.369343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCC2=CC(=C(C=C2)F)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCC2=CC(=C(C=C2)F)C)C

InChI

InChI=1S/C18H21FN2O3/c1-5-24-18(23)16-11(3)15(12(4)21-16)17(22)20-9-13-6-7-14(19)10(2)8-13/h6-8,21H,5,9H2,1-4H3,(H,20,22)