methyl 2-[(4-bromophenyl)-[[2-(cyanomethyl)phenyl]methyl]amino]ethanoate

Systemtic Name: methyl 2-[(4-bromophenyl)-[[2-(cyanomethyl)phenyl]methyl]amino]ethanoate Openeye Name: methyl 2-[4-bromo-N-[[2-(cyanomethyl)phenyl]methyl]anilino]acetate CAS Name: 2-[4-bromo-N-[[2-(cyanomethyl)phenyl]methyl]anilino]acetic acid methyl ester IUPAC Name: methyl 2-[4-bromo-N-[[2-(cyanomethyl)phenyl]methyl]anilino]acetate Traditional Name: 2-(4-bromo-N-[2-(cyanomethyl)benzyl]anilino)acetic acid methyl ester Formula: C18H17BrN2O2 MolecularWeight: 373.24378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC1=CC=CC=C1CC#N)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CN(CC1=CC=CC=C1CC#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H17BrN2O2/c1-23-18(22)13-21(17-8-6-16(19)7-9-17)12-15-5-3-2-4-14(15)10-11-20/h2-9H,10,12-13H2,1H3