[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)methoxy]benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)methoxy]benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-[(3-bromophenyl)methoxy]benzoate CAS Name: 2-[(3-bromophenyl)methoxy]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-[(3-bromophenyl)methoxy]benzoate Traditional Name: 2-(3-bromobenzyl)oxybenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC=CC=C1OCC2=CC(=CC=C2)Br

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC=CC=C1OCC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H19BrN2O4/c1-23(11-5-10-22)19(24)14-27-20(25)17-8-2-3-9-18(17)26-13-15-6-4-7-16(21)12-15/h2-4,6-9,12H,5,11,13-14H2,1H3