methyl 3-bromanyl-4-[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[3-(N-methylanilino)propylamino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[3-(N-methylanilino)propylamino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[3-(N-methylanilino)propylamino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-keto-2-[3-(N-methylanilino)propylamino]ethoxy]benzoic acid methyl ester Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC1=C(C=C(C=C1)C(=O)OC)Br)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)COC1=C(C=C(C=C1)C(=O)OC)Br)C2=CC=CC=C2

InChI

InChI=1S/C20H23BrN2O4/c1-23(16-7-4-3-5-8-16)12-6-11-22-19(24)14-27-18-10-9-15(13-17(18)21)20(25)26-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,24)