[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=CC(=CC=C1)Br)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=CC(=CC=C1)Br)C2=CC=CC=C2

InChI

InChI=1S/C19H21BrN2O3/c1-22(17-9-3-2-4-10-17)12-6-11-21-18(23)14-25-19(24)15-7-5-8-16(20)13-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,21,23)