(3-fluoranyl-2-propanoyl-cyclohexa-1,3-dien-1-yl) 3-(aminomethyl)-2-methyl-benzoate

Systemtic Name: (3-fluoranyl-2-propanoyl-cyclohexa-1,3-dien-1-yl) 3-(aminomethyl)-2-methyl-benzoate Openeye Name: (3-fluoro-2-propanoyl-cyclohexa-1,3-dien-1-yl) 3-(aminomethyl)-2-methyl-benzoate CAS Name: 3-(aminomethyl)-2-methylbenzoic acid [3-fluoro-2-(1-oxopropyl)-1-cyclohexa-1,3-dienyl] ester IUPAC Name: (3-fluoro-2-propanoylcyclohexa-1,3-dien-1-yl) 3-(aminomethyl)-2-methylbenzoate Traditional Name: 3-(aminomethyl)-2-methyl-benzoic acid (3-fluoro-2-propionyl-cyclohexa-1,3-dien-1-yl) ester Formula: C18H20FNO3 MolecularWeight: 317.354703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(CCC=C1F)OC(=O)C2=C(C(=CC=C2)CN)C

Isomeric SMILES

CCC(=O)C1=C(CCC=C1F)OC(=O)C2=C(C(=CC=C2)CN)C

InChI

InChI=1S/C18H20FNO3/c1-3-15(21)17-14(19)8-5-9-16(17)23-18(22)13-7-4-6-12(10-20)11(13)2/h4,6-8H,3,5,9-10,20H2,1-2H3