methyl 3-[(3,4-dimethylphenyl)methylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[(3,4-dimethylphenyl)methylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[(3,4-dimethylphenyl)methylamino]-4-fluoro-benzoate CAS Name: 3-[(3,4-dimethylphenyl)methylamino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(3,4-dimethylphenyl)methylamino]-4-fluorobenzoate Traditional Name: 3-[(3,4-dimethylbenzyl)amino]-4-fluoro-benzoic acid methyl ester Formula: C17H18FNO2 MolecularWeight: 287.328723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=C(C=CC(=C2)C(=O)OC)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=C(C=CC(=C2)C(=O)OC)F)C

InChI

InChI=1S/C17H18FNO2/c1-11-4-5-13(8-12(11)2)10-19-16-9-14(17(20)21-3)6-7-15(16)18/h4-9,19H,10H2,1-3H3