dimethyl 5-azanyl-2-[(4-fluorophenyl)methylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-2-[(4-fluorophenyl)methylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-amino-2-[(4-fluorophenyl)methylamino]benzene-1,3-dicarboxylate CAS Name: 5-amino-2-[(4-fluorophenyl)methylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-2-[(4-fluorophenyl)methylamino]benzene-1,3-dicarboxylate Traditional Name: 5-amino-2-[(4-fluorobenzyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H17FN2O4 MolecularWeight: 332.326283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1NCC2=CC=C(C=C2)F)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1NCC2=CC=C(C=C2)F)C(=O)OC)N

InChI

InChI=1S/C17H17FN2O4/c1-23-16(21)13-7-12(19)8-14(17(22)24-2)15(13)20-9-10-3-5-11(18)6-4-10/h3-8,20H,9,19H2,1-2H3