tert-butyl 3-bromanyl-4-[(phenethylamino)methyl]benzoate

Systemtic Name: tert-butyl 3-bromanyl-4-[(phenethylamino)methyl]benzoate Openeye Name: tert-butyl 3-bromo-4-[(phenethylamino)methyl]benzoate CAS Name: 3-bromo-4-[(phenethylamino)methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-bromo-4-[(phenethylamino)methyl]benzoate Traditional Name: 3-bromo-4-[(phenethylamino)methyl]benzoic acid tert-butyl ester Formula: C20H24BrNO2 MolecularWeight: 390.31406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CNCCC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CNCCC2=CC=CC=C2)Br

InChI

InChI=1S/C20H24BrNO2/c1-20(2,3)24-19(23)16-9-10-17(18(21)13-16)14-22-12-11-15-7-5-4-6-8-15/h4-10,13,22H,11-12,14H2,1-3H3