ethyl 6-azanyl-1-methyl-6-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: ethyl 6-azanyl-1-methyl-6-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxylate Openeye Name: ethyl 6-amino-1-methyl-6-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-amino-1-methyl-6-[3-(trifluoromethyl)phenyl]-1-cyclohexa-2,4-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-methyl-6-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-amino-1-methyl-6-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxylic acid ethyl ester Formula: C17H18F3NO2 MolecularWeight: 325.32553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=CC=CC1(C2=CC(=CC=C2)C(F)(F)F)N)C

Isomeric SMILES

CCOC(=O)C1(C=CC=CC1(C2=CC(=CC=C2)C(F)(F)F)N)C

InChI

InChI=1S/C17H18F3NO2/c1-3-23-14(22)15(2)9-4-5-10-16(15,21)12-7-6-8-13(11-12)17(18,19)20/h4-11H,3,21H2,1-2H3