3-[5-[[2-(2,4-dichlorophenyl)ethylamino]methyl]furan-2-yl]-2-methyl-benzoate

Systemtic Name: 3-[5-[[2-(2,4-dichlorophenyl)ethylamino]methyl]furan-2-yl]-2-methyl-benzoate Openeye Name: 3-[5-[[2-(2,4-dichlorophenyl)ethylamino]methyl]-2-furyl]-2-methyl-benzoate CAS Name: 3-[5-[[2-(2,4-dichlorophenyl)ethylamino]methyl]-2-furanyl]-2-methylbenzoate IUPAC Name: 3-[5-[[2-(2,4-dichlorophenyl)ethylamino]methyl]furan-2-yl]-2-methylbenzoate Traditional Name: 3-[5-[[2-(2,4-dichlorophenyl)ethylamino]methyl]-2-furyl]-2-methyl-benzoate Formula: C21H18Cl2NO3- MolecularWeight: 403.27852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)[O-])C2=CC=C(O2)CNCCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=CC=C1C(=O)[O-])C2=CC=C(O2)CNCCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2NO3/c1-13-17(3-2-4-18(13)21(25)26)20-8-7-16(27-20)12-24-10-9-14-5-6-15(22)11-19(14)23/h2-8,11,24H,9-10,12H2,1H3,(H,25,26)/p-1