methyl 4-[[[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-methylamino]methyl]benzoate Traditional Name: 4-[[[2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C20H23FN2O3 MolecularWeight: 358.406623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N(C)CC2=CC=C(C=C2)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N(C)CC2=CC=C(C=C2)C(=O)OC)F

InChI

InChI=1S/C20H23FN2O3/c1-13-5-10-17(11-18(13)21)22-19(24)14(2)23(3)12-15-6-8-16(9-7-15)20(25)26-4/h5-11,14H,12H2,1-4H3,(H,22,24)