N-[4-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylamino]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[(4-allyloxy-3-bromo-5-ethoxy-phenyl)methylamino]phenyl]-2-methyl-propanamide CAS Name: N-[4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylamino]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylamino]phenyl]-2-methylpropanamide Traditional Name: N-[4-[(4-allyloxy-3-bromo-5-ethoxy-benzyl)amino]phenyl]-2-methyl-propionamide Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)NC(=O)C(C)C)Br)OCC=C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)NC(=O)C(C)C)Br)OCC=C

InChI

InChI=1S/C22H27BrN2O3/c1-5-11-28-21-19(23)12-16(13-20(21)27-6-2)14-24-17-7-9-18(10-8-17)25-22(26)15(3)4/h5,7-10,12-13,15,24H,1,6,11,14H2,2-4H3,(H,25,26)