methyl 3-azanyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-amino-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-amino-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-amino-4-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C14H13F3N2O2 MolecularWeight: 298.26043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC(=CC=C2)C(F)(F)F)N

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC(=CC=C2)C(F)(F)F)N

InChI

InChI=1S/C14H13F3N2O2/c1-21-13(20)12-11(18)9(7-19-12)5-8-3-2-4-10(6-8)14(15,16)17/h2-4,6-7,19H,5,18H2,1H3