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

Systemtic Name: (2S)-2-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[(4-allyloxy-3-bromo-5-ethoxy-phenyl)methylamino]-N-propyl-propanamide CAS Name: (2S)-2-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylamino]-N-propylpropanamide IUPAC Name: (2S)-2-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylamino]-N-propylpropanamide Traditional Name: (2S)-2-[(4-allyloxy-3-bromo-5-ethoxy-benzyl)amino]-N-propyl-propionamide Formula: C18H27BrN2O3 MolecularWeight: 399.32258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NCC1=CC(=C(C(=C1)Br)OCC=C)OCC

Isomeric SMILES

CCCNC(=O)[C@H](C)NCC1=CC(=C(C(=C1)Br)OCC=C)OCC

InChI

InChI=1S/C18H27BrN2O3/c1-5-8-20-18(22)13(4)21-12-14-10-15(19)17(24-9-6-2)16(11-14)23-7-3/h6,10-11,13,21H,2,5,7-9,12H2,1,3-4H3,(H,20,22)/t13-/m0/s1