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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(2-bromophenyl)methoxy]benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-[(2-bromophenyl)methoxy]benzoate CAS Name: 2-[(2-bromophenyl)methoxy]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-[(2-bromophenyl)methoxy]benzoate Traditional Name: 2-(2-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=C2Br

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC=CC=C1OCC2=CC=CC=C2Br

InChI

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