propan-2-yl 4-[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]ethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=CC(=C(C=C2)OC)F

InChI

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