(phenylmethyl) 2-[[2-bromanyl-4-(2-cyanophenyl)phenyl]methylamino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[2-bromanyl-4-(2-cyanophenyl)phenyl]methylamino]-3-methyl-butanoate Openeye Name: benzyl 2-[[2-bromo-4-(2-cyanophenyl)phenyl]methylamino]-3-methyl-butanoate CAS Name: 2-[[2-bromo-4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-bromo-4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate Traditional Name: 2-[[2-bromo-4-(2-cyanophenyl)benzyl]amino]-3-methyl-butyric acid benzyl ester Formula: C26H25BrN2O2 MolecularWeight: 477.3929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NCC2=C(C=C(C=C2)C3=CC=CC=C3C#N)Br

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NCC2=C(C=C(C=C2)C3=CC=CC=C3C#N)Br

InChI

InChI=1S/C26H25BrN2O2/c1-18(2)25(26(30)31-17-19-8-4-3-5-9-19)29-16-22-13-12-20(14-24(22)27)23-11-7-6-10-21(23)15-28/h3-14,18,25,29H,16-17H2,1-2H3