methyl 3-[2-[3-(4-fluoranylphenoxy)propyl-methyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[3-(4-fluoranylphenoxy)propyl-methyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3-(4-fluorophenoxy)propyl-methyl-amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(4-fluorophenoxy)propyl-methylamino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[3-(4-fluorophenoxy)propyl-methyl-amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H25FN2O4 MolecularWeight: 388.432603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C)CCCOC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C)CCCOC2=CC=C(C=C2)F

InChI

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