methyl 4-[[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H25FN2O4 MolecularWeight: 388.432603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N(C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N(C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H25FN2O4/c1-14(24(2)13-16-7-10-19(27-3)18(22)11-16)20(25)23-12-15-5-8-17(9-6-15)21(26)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,25)